(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

C138H147FN42O11S4 — CID 161370268

IUPAC(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C(=O)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1)N1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cc5)c4n3)C2=O)C1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(C(C)C(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cn1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC9CCC9)nc8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C35H37N11O3S.C35H39N11O3S.C35H38N10O3S.C33H33FN10O2S/c1-43-21-38-32(42-43)26-18-37-33(50-26)22-9-13-45(14-10-22)29(47)19-44-15-11-35(20-44)12-16-46(34(35)48)27-7-6-25-31(39-27)30(41-40-25)23-5-8-28(36-17-23)49-24-3-2-4-24;1-21(2)49-28-8-5-24(17-36-28)29-30-25(40-41-29)6-7-27(39-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-37-18-26(50-32)31-38-20-43(4)42-31;1-22(2)48-25-6-4-23(5-7-25)30-31-26(39-40-30)8-9-28(38-31)45-17-13-35(34(45)47)12-16-43(20-35)19-29(46)44-14-10-24(11-15-44)33-36-18-27(49-33)32-37-21-42(3)41-32;1-20(31(45)42-13-9-22(10-14-42)30-35-17-25(47-30)29-36-19-41(2)40-29)43-15-11-33(18-43)12-16-44(32(33)46)26-8-7-24-28(37-26)27(39-38-24)21-3-5-23(34)6-4-21/h5-9,17-18,21,24H,2-4,10-16,19-20H2,1H3,(H,40,41);5-9,17-18,20-22H,10-16,19H2,1-4H3,(H,40,41);4-10,18,21-22H,11-17,19-20H2,1-3H3,(H,39,40);3-9,17,19-20H,10-16,18H2,1-2H3,(H,38,39)/t35-;22?,35-;35-;20?,33-/m0000/s1
InChIKeyVQJIHFHBXSOWEV-NFPGBDCBSA-N
MW2717.24 g/mol
LogP16.70
Rot. Bonds30

About (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 161370268) has the molecular formula C138H147FN42O11S4 and a molecular weight of 2717.24 g/mol. Its IUPAC name is (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID161370268
Molecular FormulaC138H147FN42O11S4
Molecular Weight2717.24 g/mol
Exact Mass2715.11
IUPAC Name(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCC(C(=O)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1)N1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cc5)c4n3)C2=O)C1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(C(C)C(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cn1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC9CCC9)nc8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C35H37N11O3S.C35H39N11O3S.C35H38N10O3S.C33H33FN10O2S/c1-43-21-38-32(42-43)26-18-37-33(50-26)22-9-13-45(14-10-22)29(47)19-44-15-11-35(20-44)12-16-46(34(35)48)27-7-6-25-31(39-27)30(41-40-25)23-5-8-28(36-17-23)49-24-3-2-4-24;1-21(2)49-28-8-5-24(17-36-28)29-30-25(40-41-29)6-7-27(39-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-37-18-26(50-32)31-38-20-43(4)42-31;1-22(2)48-25-6-4-23(5-7-25)30-31-26(39-40-30)8-9-28(38-31)45-17-13-35(34(45)47)12-16-43(20-35)19-29(46)44-14-10-24(11-15-44)33-36-18-27(49-33)32-37-21-42(3)41-32;1-20(31(45)42-13-9-22(10-14-42)30-35-17-25(47-30)29-36-19-41(2)40-29)43-15-11-33(18-43)12-16-44(32(33)46)26-8-7-24-28(37-26)27(39-38-24)21-3-5-23(34)6-4-21/h5-9,17-18,21,24H,2-4,10-16,19-20H2,1H3,(H,40,41);5-9,17-18,20-22H,10-16,19H2,1-4H3,(H,40,41);4-10,18,21-22H,11-17,19-20H2,1-3H3,(H,39,40);3-9,17,19-20H,10-16,18H2,1-2H3,(H,38,39)/t35-;22?,35-;35-;20?,33-/m0000/s1
InChIKeyVQJIHFHBXSOWEV-NFPGBDCBSA-N
XLogP16.70
TPSA569.59 Ų
H-Bond Donors4
H-Bond Acceptors45
Rotatable Bonds30
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.24
LogP ≤ 516.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1045

Analyze (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(5S)-2-[5-amino-6-(6-cyclobutyloxypyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 154586790
(5S)-2-[7-(6-methoxy-3-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-2-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 161233689
(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]pyrrolidine-3-carboxamide
CID 67346267
7-[2-[4-[4-(5-fluoropyrimidin-2-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 135237046
methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone;1-[(3S)-3-methoxypyrrolidin-3-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]ethanone
CID 159090166
(5S)-7-[(2S)-2-hydroxy-2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 155671766
2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 154961254
(5S)-7-[2-[4-[4-(3-methyl-2,3-dihydro-1,2,4-oxadiazol-5-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 155081803
(3R)-N-ethyl-1-[2-[4-[6-(1-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-N-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyrrolidine-3-carboxamide
CID 154968189
(5S)-7-[2-[4-[3-fluoro-4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxyethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-indazol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 155081658
7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-isoindol-5-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 149051515
(5S)-2-[5-methyl-6-(6-methylpyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 159535263

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one (CID 161370268) is (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is CC(C(=O)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1)N1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cc5)c4n3)C2=O)C1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(C(C)C(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cn1.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(OC9CCC9)nc8)c7n6)C5=O)C4)CC3)s2)n1.
What is the InChIKey of (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is VQJIHFHBXSOWEV-NFPGBDCBSA-N. The full InChI is InChI=1S/C35H37N11O3S.C35H39N11O3S.C35H38N10O3S.C33H33FN10O2S/c1-43-21-38-32(42-43)26-18-37-33(50-26)22-9-13-45(14-10-22)29(47)19-44-15-11-35(20-44)12-16-46(34(35)48)27-7-6-25-31(39-27)30(41-40-25)23-5-8-28(36-17-23)49-24-3-2-4-24;1-21(2)49-28-8-5-24(17-36-28)29-30-25(40-41-29)6-7-27(39-30)46-16-12-35(34(46)48)11-15-45(19-35)22(3)33(47)44-13-9-23(10-14-44)32-37-18-26(50-32)31-38-20-43(4)42-31;1-22(2)48-25-6-4-23(5-7-25)30-31-26(39-40-30)8-9-28(38-31)45-17-13-35(34(45)47)12-16-43(20-35)19-29(46)44-14-10-24(11-15-44)33-36-18-27(49-33)32-37-21-42(3)41-32;1-20(31(45)42-13-9-22(10-14-42)30-35-17-25(47-30)29-36-19-41(2)40-29)43-15-11-33(18-43)12-16-44(32(33)46)26-8-7-24-28(37-26)27(39-38-24)21-3-5-23(34)6-4-21/h5-9,17-18,21,24H,2-4,10-16,19-20H2,1H3,(H,40,41);5-9,17-18,20-22H,10-16,19H2,1-4H3,(H,40,41);4-10,18,21-22H,11-17,19-20H2,1-3H3,(H,39,40);3-9,17,19-20H,10-16,18H2,1-2H3,(H,38,39)/t35-;22?,35-;35-;20?,33-/m0000/s1.
What are the key properties of (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 2717.24 g/mol, XLogP of 16.70, 30 rotatable bonds, 4 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[3-(6-cyclobutyloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(4-fluorophenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(4-propan-2-yloxyphenyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-7-[1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-1-oxopropan-2-yl]-2-[3-(6-propan-2-yloxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 161370268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).