1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C27H27N7O3 — CID 118058649

IUPAC1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCn1cc(-c2ccc3c(OCC4CCOC4)nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc3c2)cn1
InChIInChI=1S/C27H27N7O3/c1-32-13-19(11-29-32)18-2-5-21-22(10-18)30-25(31-26(21)37-16-17-7-9-36-15-17)14-33-24-12-28-8-6-23(24)34(27(33)35)20-3-4-20/h2,5-6,8,10-13,17,20H,3-4,7,9,14-16H2,1H3
InChIKeyFPKVWKDFLORONC-UHFFFAOYSA-N
MW497.56 g/mol
LogP3.34
Rot. Bonds7

About 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 118058649) has the molecular formula C27H27N7O3 and a molecular weight of 497.56 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID118058649
Molecular FormulaC27H27N7O3
Molecular Weight497.56 g/mol
Exact Mass497.22
IUPAC Name1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCn1cc(-c2ccc3c(OCC4CCOC4)nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc3c2)cn1
InChIInChI=1S/C27H27N7O3/c1-32-13-19(11-29-32)18-2-5-21-22(10-18)30-25(31-26(21)37-16-17-7-9-36-15-17)14-33-24-12-28-8-6-23(24)34(27(33)35)20-3-4-20/h2,5-6,8,10-13,17,20H,3-4,7,9,14-16H2,1H3
InChIKeyFPKVWKDFLORONC-UHFFFAOYSA-N
XLogP3.34
TPSA101.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-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

8-[6-[3-(Dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 138490470
2-[(1S,2S)-2-[[2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 71061389
US11058688, Example 2
CID 139530433
7-[[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]-N-cyclopropyl-2-ethyl-N-methylquinolin-4-amine
CID 156304021
WO2022098807, Example 1-3
CID 163291050
3-[1-[2-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]-4-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
CID 162664304
US9914735, Example 17
CID 118401316
US10034861, Example 160
CID 132273452
WO2022090481, Example I-154
CID 163273612
8-methoxy-2-methyl-7-(1-methylpyrazol-4-yl)-1-[(1R)-1-pyridin-2-ylethyl]imidazo[4,5-c]quinoline
CID 177657476
6-(4-(1H-Imidazol-1-yl)phenyl)-3-methoxy-1-phenyl-1H-indazole
CID 58483627
US12226414, Example 3
CID 146444140

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 118058649) is 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is Cn1cc(-c2ccc3c(OCC4CCOC4)nc(Cn4c(=O)n(C5CC5)c5ccncc54)nc3c2)cn1.
What is the InChIKey of 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is FPKVWKDFLORONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O3/c1-32-13-19(11-29-32)18-2-5-21-22(10-18)30-25(31-26(21)37-16-17-7-9-36-15-17)14-33-24-12-28-8-6-23(24)34(27(33)35)20-3-4-20/h2,5-6,8,10-13,17,20H,3-4,7,9,14-16H2,1H3.
What are the key properties of 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 497.56 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[7-(1-methylpyrazol-4-yl)-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 118058649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).