(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one

C132H133F3N40O5S4 — CID 158210896

IUPAC(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESC=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(C)nc5)c4n3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ccc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(F)cc8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C34H34FN9OS.C33H33FN10OS.C33H35N11OS.C32H31FN10O2S/c1-22(43-13-9-23(10-14-43)29-7-8-30(46-29)32-37-21-41(2)40-32)19-42-15-11-34(20-42)12-16-44(33(34)45)25-4-6-27-26(17-25)31(39-38-27)28-5-3-24(35)18-36-28;1-21(43-11-7-22(8-12-43)31-36-17-28(46-31)30-37-20-41(2)40-30)18-42-13-9-33(19-42)10-14-44(32(33)45)24-4-6-26-25(15-24)29(39-38-26)27-5-3-23(34)16-35-27;1-21-4-5-24(16-34-21)28-29-25(38-39-28)6-7-27(37-29)44-15-11-33(32(44)45)10-14-42(19-33)18-22(2)43-12-8-23(9-13-43)31-35-17-26(46-31)30-36-20-41(3)40-30;1-40-19-35-29(39-40)24-16-34-30(46-24)21-8-12-42(13-9-21)26(44)17-41-14-10-32(18-41)11-15-43(31(32)45)25-7-6-23-28(36-25)27(38-37-23)20-2-4-22(33)5-3-20/h3-9,17-18,21H,1,10-16,19-20H2,2H3,(H,38,39);3-7,15-17,20H,1,8-14,18-19H2,2H3,(H,38,39);4-8,16-17,20H,2,9-15,18-19H2,1,3H3,(H,38,39);2-8,16,19H,9-15,17-18H2,1H3,(H,37,38)/t34-;2*33-;32-/m0000/s1
InChIKeyGCBIETYHLSJQFP-ZRQOHWKDSA-N
MW2545.05 g/mol
LogP18.17
Rot. Bonds27

About (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 158210896) has the molecular formula C132H133F3N40O5S4 and a molecular weight of 2545.05 g/mol. Its IUPAC name is (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID158210896
Molecular FormulaC132H133F3N40O5S4
Molecular Weight2545.05 g/mol
Exact Mass2543.02
IUPAC Name(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESC=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(C)nc5)c4n3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ccc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(F)cc8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C34H34FN9OS.C33H33FN10OS.C33H35N11OS.C32H31FN10O2S/c1-22(43-13-9-23(10-14-43)29-7-8-30(46-29)32-37-21-41(2)40-32)19-42-15-11-34(20-42)12-16-44(33(34)45)25-4-6-27-26(17-25)31(39-38-27)28-5-3-24(35)18-36-28;1-21(43-11-7-22(8-12-43)31-36-17-28(46-31)30-37-20-41(2)40-30)18-42-13-9-33(19-42)10-14-44(32(33)45)24-4-6-26-25(15-24)29(39-38-26)27-5-3-23(34)16-35-27;1-21-4-5-24(16-34-21)28-29-25(38-39-28)6-7-27(37-29)44-15-11-33(32(44)45)10-14-42(19-33)18-22(2)43-12-8-23(9-13-43)31-35-17-26(46-31)30-36-20-41(3)40-30;1-40-19-35-29(39-40)24-16-34-30(46-24)21-8-12-42(13-9-21)26(44)17-41-14-10-32(18-41)11-15-43(31(32)45)25-7-6-23-28(36-25)27(38-37-23)20-2-4-22(33)5-3-20/h3-9,17-18,21H,1,10-16,19-20H2,2H3,(H,38,39);3-7,15-17,20H,1,8-14,18-19H2,2H3,(H,38,39);4-8,16-17,20H,2,9-15,18-19H2,1,3H3,(H,38,39);2-8,16,19H,9-15,17-18H2,1H3,(H,37,38)/t34-;2*33-;32-/m0000/s1
InChIKeyGCBIETYHLSJQFP-ZRQOHWKDSA-N
XLogP18.17
TPSA464.91 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002545.05
LogP ≤ 518.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Analyze (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685722
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(4-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 145965069
US10934304, Example 80
CID 134415899
US10934304, Example 30
CID 154968173
(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfonyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57686050
(3S)-1-[2-[4-fluoro-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-N-[3-(2-methyl-4-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanylpyrrolidine-3-carboxamide
CID 57686243
(3R)-N-[3-(6-fluoro-3-pyridinyl)-1H-indazol-5-yl]-3-methyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 89743218
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[2-[(2R)-2-methyl-4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)piperazin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 89828818
N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137029757
N-[5-[7-[2-[2-amino-1-[5-methyl-2-(5-pyrimidin-5-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-1H-imidazol-4-yl]ethenyl]-5-fluorothiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137143346
N-[5-[7-[5-fluoro-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-6,7-dihydro-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 137156256
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide
CID 145033091

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 158210896) is (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one is C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(C)nc5)c4n3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ccc(-c3ncn(C)n3)s2)CC1.C=C(CN1CC[C@]2(CCN(c3ccc4[nH]nc(-c5ccc(F)cn5)c4c3)C2=O)C1)N1CC=C(c2ncc(-c3ncn(C)n3)s2)CC1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7[nH]nc(-c8ccc(F)cc8)c7n6)C5=O)C4)CC3)s2)n1.
What is the InChIKey of (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is GCBIETYHLSJQFP-ZRQOHWKDSA-N. The full InChI is InChI=1S/C34H34FN9OS.C33H33FN10OS.C33H35N11OS.C32H31FN10O2S/c1-22(43-13-9-23(10-14-43)29-7-8-30(46-29)32-37-21-41(2)40-32)19-42-15-11-34(20-42)12-16-44(33(34)45)25-4-6-27-26(17-25)31(39-38-27)28-5-3-24(35)18-36-28;1-21(43-11-7-22(8-12-43)31-36-17-28(46-31)30-37-20-41(2)40-30)18-42-13-9-33(19-42)10-14-44(32(33)45)24-4-6-26-25(15-24)29(39-38-26)27-5-3-23(34)16-35-27;1-21-4-5-24(16-34-21)28-29-25(38-39-28)6-7-27(37-29)44-15-11-33(32(44)45)10-14-42(19-33)18-22(2)43-12-8-23(9-13-43)31-35-17-26(46-31)30-36-20-41(3)40-30;1-40-19-35-29(39-40)24-16-34-30(46-24)21-8-12-42(13-9-21)26(44)17-41-14-10-32(18-41)11-15-43(31(32)45)25-7-6-23-28(36-25)27(38-37-23)20-2-4-22(33)5-3-20/h3-9,17-18,21H,1,10-16,19-20H2,2H3,(H,38,39);3-7,15-17,20H,1,8-14,18-19H2,2H3,(H,38,39);4-8,16-17,20H,2,9-15,18-19H2,1,3H3,(H,38,39);2-8,16,19H,9-15,17-18H2,1H3,(H,37,38)/t34-;2*33-;32-/m0000/s1.
What are the key properties of (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 2545.05 g/mol, XLogP of 18.17, 27 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[3-(4-fluorophenyl)-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-(5-fluoro-2-pyridinyl)-1H-indazol-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(5-fluoro-2-pyridinyl)-1H-indazol-5-yl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)thiophen-2-yl]-3,6-dihydro-2H-pyridin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one;(5S)-2-[3-(6-methyl-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]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 158210896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).