(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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

C35H38N8O2 — CID 172816935

IUPAC(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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
SMILESCn1cnc(-c2ccc(C3=CCN(C(=O)CN4C(=O)C5(CCNC5)C[C@@H]4n4nc(C56CC(C5)C6)c5ccccc54)CC3)cc2)n1
InChIInChI=1S/C35H38N8O2/c1-40-22-37-32(39-40)26-8-6-24(7-9-26)25-10-14-41(15-11-25)30(44)20-42-29(19-34(33(42)45)12-13-36-21-34)43-28-5-3-2-4-27(28)31(38-43)35-16-23(17-35)18-35/h2-10,22-23,29,36H,11-21H2,1H3/t23?,29-,34?,35?/m0/s1
InChIKeySXWLWNLFWTWLQN-NUWUDGILSA-N
MW602.74 g/mol
LogP3.91
Rot. Bonds6

About (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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

(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 (PubChem CID 172816935) has the molecular formula C35H38N8O2 and a molecular weight of 602.74 g/mol. Its IUPAC name is (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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.

Molecular Properties

Compound Name(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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
PubChem CID172816935
Molecular FormulaC35H38N8O2
Molecular Weight602.74 g/mol
Exact Mass602.31
IUPAC Name(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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
SMILESCn1cnc(-c2ccc(C3=CCN(C(=O)CN4C(=O)C5(CCNC5)C[C@@H]4n4nc(C56CC(C5)C6)c5ccccc54)CC3)cc2)n1
InChIInChI=1S/C35H38N8O2/c1-40-22-37-32(39-40)26-8-6-24(7-9-26)25-10-14-41(15-11-25)30(44)20-42-29(19-34(33(42)45)12-13-36-21-34)43-28-5-3-2-4-27(28)31(38-43)35-16-23(17-35)18-35/h2-10,22-23,29,36H,11-21H2,1H3/t23?,29-,34?,35?/m0/s1
InChIKeySXWLWNLFWTWLQN-NUWUDGILSA-N
XLogP3.91
TPSA101.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-3-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[3-(oxolan-2-yl)indazol-1-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 172732072
(5S)-2-[3-(5-methylpiperidin-3-yl)-1H-isoindol-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 159560016
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)-2-[3-(difluoromethyl)-2,3,3a,4,5,6,7,7a-octahydro-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 154702253
2-chloroacetyl chloride;2-chloro-1-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone;5-(1-methyl-1,2,4-triazol-3-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)pyridine
CID 162088381
2-methoxy-4-[5-[(5S)-7-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-1H-indazol-3-yl]benzonitrile
CID 122588854
(5S)-2-[3-(2-methyl-4-pyridinyl)-1H-isoindol-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 147625710
(5S)-2-[7-(4-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridin-2-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 160742473
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
methane;1-[(3S)-3-methoxy-1-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-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 158984384
2,2-dihydroxy-2-[methoxymethyl(propyl)amino]-1-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 143851756
N-[3-(6-ethoxy-3-pyridinyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-[4-[4-(1-methyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]pyrrolidine-3-carboxamide
CID 86281853

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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?
The IUPAC name of (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 172816935) is (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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.
What is the SMILES notation for (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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?
The canonical SMILES for (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 is Cn1cnc(-c2ccc(C3=CCN(C(=O)CN4C(=O)C5(CCNC5)C[C@@H]4n4nc(C56CC(C5)C6)c5ccccc54)CC3)cc2)n1.
What is the InChIKey of (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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?
The InChIKey is SXWLWNLFWTWLQN-NUWUDGILSA-N. The full InChI is InChI=1S/C35H38N8O2/c1-40-22-37-32(39-40)26-8-6-24(7-9-26)25-10-14-41(15-11-25)30(44)20-42-29(19-34(33(42)45)12-13-36-21-34)43-28-5-3-2-4-27(28)31(38-43)35-16-23(17-35)18-35/h2-10,22-23,29,36H,11-21H2,1H3/t23?,29-,34?,35?/m0/s1.
What are the key properties of (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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?
(3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 has a molecular weight of 602.74 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-(1-bicyclo[1.1.1]pentanyl)indazol-1-yl]-2-[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 is sourced from PubChem (CID 172816935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).