(5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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

C98H108FN31O8S3 — CID 160592980

About (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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 (PubChem CID 160592980) has the molecular formula C98H108FN31O8S3 and a molecular weight of 1963.35 g/mol. Its IUPAC name is (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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.

Molecular Properties

• Compound Name: (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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
• PubChem CID: 160592980
• Molecular Formula: C98H108FN31O8S3
• Molecular Weight: 1963.35 g/mol
• Exact Mass: 1961.81
• IUPAC Name: (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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
• SMILES: CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1F.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CCN(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CC8)c7n6)C5=O)C4)CC3)s2)n1
• InChI: InChI=1S/C35H37FN10O3S.C34H39N11O3S.C29H32N10O2S/c1-21(2)49-26-6-4-23(16-24(26)36)30-31-25(40-41-30)5-7-28(39-31)46-15-11-35(34(46)48)10-14-44(19-35)18-29(47)45-12-8-22(9-13-45)33-37-17-27(50-33)32-38-20-43(3)42-32;1-22(2)48-24-6-4-23(5-7-24)29-30-25(38-39-29)8-9-27(37-30)45-13-11-34(32(45)47)10-12-42(20-34)19-28(46)43-14-16-44(17-15-43)33-35-18-26(49-33)31-36-21-41(3)40-31;1-36-17-31-26(35-36)21-14-30-27(42-21)19-6-10-38(11-7-19)23(40)15-37-12-8-29(16-37)9-13-39(28(29)41)22-5-4-20-25(32-22)24(34-33-20)18-2-3-18/h4-8,16-17,20-21H,9-15,18-19H2,1-3H3,(H,40,41);4-9,18,21-22H,10-17,19-20H2,1-3H3,(H,38,39);4-6,14,17-18H,2-3,7-13,15-16H2,1H3,(H,33,34)/t35-;34-;29-/m000/s1
• InChIKey: RDGPCDDHBITXKT-QBFUHRPKSA-N
• XLogP: 10.82
• TPSA: 408.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1963.35
LogP ≤ 5	10.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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?

The IUPAC name of (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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 (CID 160592980) is (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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.

What is the SMILES notation for (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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?

The canonical SMILES for (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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 is CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CC=C(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1F.CC(C)Oc1ccc(-c2n[nH]c3ccc(N4CC[C@]5(CCN(CC(=O)N6CCN(c7ncc(-c8ncn(C)n8)s7)CC6)C5)C4=O)nc23)cc1.Cn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CC8)c7n6)C5=O)C4)CC3)s2)n1.

What is the InChIKey of (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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?

The InChIKey is RDGPCDDHBITXKT-QBFUHRPKSA-N. The full InChI is InChI=1S/C35H37FN10O3S.C34H39N11O3S.C29H32N10O2S/c1-21(2)49-26-6-4-23(16-24(26)36)30-31-25(40-41-30)5-7-28(39-31)46-15-11-35(34(46)48)10-14-44(19-35)18-29(47)45-12-8-22(9-13-45)33-37-17-27(50-33)32-38-20-43(3)42-32;1-22(2)48-24-6-4-23(5-7-24)29-30-25(38-39-29)8-9-27(37-30)45-13-11-34(32(45)47)10-12-42(20-34)19-28(46)43-14-16-44(17-15-43)33-35-18-26(49-33)31-36-21-41(3)40-31;1-36-17-31-26(35-36)21-14-30-27(42-21)19-6-10-38(11-7-19)23(40)15-37-12-8-29(16-37)9-13-39(28(29)41)22-5-4-20-25(32-22)24(34-33-20)18-2-3-18/h4-8,16-17,20-21H,9-15,18-19H2,1-3H3,(H,40,41);4-9,18,21-22H,10-17,19-20H2,1-3H3,(H,38,39);4-6,14,17-18H,2-3,7-13,15-16H2,1H3,(H,33,34)/t35-;34-;29-/m000/s1.

What are the key properties of (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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 has a molecular weight of 1963.35 g/mol, XLogP of 10.82, 22 rotatable bonds, 3 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-2-(3-cyclopropyl-2H-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-(3-fluoro-4-propan-2-yloxyphenyl)-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)-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperazin-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 is sourced from PubChem (CID 160592980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).