(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

C29H32N10O2S — CID 148805906

IUPAC(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
SMILESCn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CC8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C29H32N10O2S/c1-36-17-31-26(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/h4-6,14,17-18H,2-3,7-13,15-16H2,1H3,(H,33,34)/t29-/m0/s1
InChIKeyOOYLXBXYRXBIIU-LJAQVGFWSA-N
MW584.71 g/mol
LogP2.83
Rot. Bonds6

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-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 (PubChem CID 148805906) has the molecular formula C29H32N10O2S and a molecular weight of 584.71 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.

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
PubChem CID148805906
Molecular FormulaC29H32N10O2S
Molecular Weight584.71 g/mol
Exact Mass584.24
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
SMILESCn1cnc(-c2cnc(C3=CCN(C(=O)CN4CC[C@]5(CCN(c6ccc7n[nH]c(C8CC8)c7n6)C5=O)C4)CC3)s2)n1
InChIInChI=1S/C29H32N10O2S/c1-36-17-31-26(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/h4-6,14,17-18H,2-3,7-13,15-16H2,1H3,(H,33,34)/t29-/m0/s1
InChIKeyOOYLXBXYRXBIIU-LJAQVGFWSA-N
XLogP2.83
TPSA129.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.71
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (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 with MolForge

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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?
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 (CID 148805906) 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.
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?
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 is 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?
The InChIKey is OOYLXBXYRXBIIU-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32N10O2S/c1-36-17-31-26(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/h4-6,14,17-18H,2-3,7-13,15-16H2,1H3,(H,33,34)/t29-/m0/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-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 has a molecular weight of 584.71 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 10 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 is sourced from PubChem (CID 148805906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).