6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

C36H37N7O4 — CID 177158563

IUPAC6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOCC1[C@H]2CN(c3ccc4c(=O)n(CCc5ccc6c(c5)N(C)C(=O)C65CC5)c(CCn5nc6ccccn6c5=O)nc4c3)C[C@@H]12
InChIInChI=1S/C36H37N7O4/c1-39-30-17-22(6-9-28(30)36(12-13-36)34(39)45)10-15-41-31(11-16-43-35(46)42-14-4-3-5-32(42)38-43)37-29-18-23(7-8-24(29)33(41)44)40-19-25-26(20-40)27(25)21-47-2/h3-9,14,17-18,25-27H,10-13,15-16,19-21H2,1-2H3/t25-,26+,27?
InChIKeyCQZMFTPHBSNUET-ZVBBVAIHSA-N
MW631.74 g/mol
LogP3.03
Rot. Bonds9

About 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one

6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (PubChem CID 177158563) has the molecular formula C36H37N7O4 and a molecular weight of 631.74 g/mol. Its IUPAC name is 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.

Molecular Properties

Compound Name6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
PubChem CID177158563
Molecular FormulaC36H37N7O4
Molecular Weight631.74 g/mol
Exact Mass631.29
IUPAC Name6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
SMILESCOCC1[C@H]2CN(c3ccc4c(=O)n(CCc5ccc6c(c5)N(C)C(=O)C65CC5)c(CCn5nc6ccccn6c5=O)nc4c3)C[C@@H]12
InChIInChI=1S/C36H37N7O4/c1-39-30-17-22(6-9-28(30)36(12-13-36)34(39)45)10-15-41-31(11-16-43-35(46)42-14-4-3-5-32(42)38-43)37-29-18-23(7-8-24(29)33(41)44)40-19-25-26(20-40)27(25)21-47-2/h3-9,14,17-18,25-27H,10-13,15-16,19-21H2,1-2H3/t25-,26+,27?
InChIKeyCQZMFTPHBSNUET-ZVBBVAIHSA-N
XLogP3.03
TPSA106.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.74
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-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

3-[2-(3,3-dimethyl-2-oxo-1H-indol-5-yl)ethyl]-7-morpholin-4-yl-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-4-one
CID 177158468
2-[2-[5-[2,3-dimethoxy-5-[2-[7-[(2S,6R)-2-(methoxymethyl)-6-methylmorpholin-4-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]phenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]ethyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]-7-(1,4-oxazepan-4-yl)quinazolin-4-one
CID 177158739
2-[2-[7-(4-acetylpiperazin-1-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]ethyl]-4H-isoquinoline-1,3-dione
CID 177158470
4-[2-[7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-2-methyl-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 177159845
7-[(2R)-2-[(3-fluoroazetidin-1-yl)methyl]morpholin-4-yl]-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-[2-(1,3,3-trimethyl-2-oxopyrrolo[3,2-b]pyridin-6-yl)ethyl]quinazolin-4-one
CID 177158895
7-[(2R)-2-(methoxymethyl)morpholin-4-yl]-3-[2-(2-methoxypyrazolo[1,5-a]pyrimidin-6-yl)ethyl]-2-[(2R)-oxetan-2-yl]quinazolin-4-one
CID 177159880
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
6-amino-5-[3-methoxypropyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 43061559
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
4-[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-4-oxoquinazolin-6-yl]ethyl]-2-[2-[4-oxo-3-(2-pyrazol-1-ylethyl)quinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177159063

Frequently Asked Questions

What is the IUPAC name of 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The IUPAC name of 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one (CID 177158563) is 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one.
What is the SMILES notation for 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The canonical SMILES for 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is COCC1[C@H]2CN(c3ccc4c(=O)n(CCc5ccc6c(c5)N(C)C(=O)C65CC5)c(CCn5nc6ccccn6c5=O)nc4c3)C[C@@H]12.
What is the InChIKey of 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
The InChIKey is CQZMFTPHBSNUET-ZVBBVAIHSA-N. The full InChI is InChI=1S/C36H37N7O4/c1-39-30-17-22(6-9-28(30)36(12-13-36)34(39)45)10-15-41-31(11-16-43-35(46)42-14-4-3-5-32(42)38-43)37-29-18-23(7-8-24(29)33(41)44)40-19-25-26(20-40)27(25)21-47-2/h3-9,14,17-18,25-27H,10-13,15-16,19-21H2,1-2H3/t25-,26+,27?.
What are the key properties of 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one?
6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one has a molecular weight of 631.74 g/mol, XLogP of 3.03, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-[2-[7-[(1R,5S)-6-(methoxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]quinazolin-3-yl]ethyl]-1'-methylspiro[cyclopropane-1,3'-indole]-2'-one is sourced from PubChem (CID 177158563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).