6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one

C23H21F2N5O3 — CID 123563005

IUPAC6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one
SMILESCC(Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C23H21F2N5O3/c1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32)
InChIKeyHHYQOZVIMKPCTA-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.38
Rot. Bonds5

About 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one

6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one (PubChem CID 123563005) has the molecular formula C23H21F2N5O3 and a molecular weight of 453.45 g/mol. Its IUPAC name is 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one.

Molecular Properties

Compound Name6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one
PubChem CID123563005
Molecular FormulaC23H21F2N5O3
Molecular Weight453.45 g/mol
Exact Mass453.16
IUPAC Name6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one
SMILESCC(Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C23H21F2N5O3/c1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32)
InChIKeyHHYQOZVIMKPCTA-UHFFFAOYSA-N
XLogP3.38
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-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

US9914735, Example 83
CID 118386412
US11203591, Example 181
CID 152916830
US11203591, Example 34
CID 153578846
example 3A.02, on page 196 of WO15017610
CID 117843029
US9914735, Example 17
CID 118401316
4-[5-(1-methyl-2-oxo-3H-indol-5-yl)-8-[[(3R)-pyrrolidin-3-yl]methoxy]imidazo[1,5-a]pyridin-6-yl]benzonitrile
CID 118647534
2-[4-(2-cyclopropylbenzimidazol-1-yl)phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 42610079
N-{4-[(5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]cyclohexyl}-N'-[3-(trifluoromethyl)phenyl]urea
CID 57707692
5-fluoro-N-[(4-fluorophenyl)methyl]-1-methyl-3-[(R)-7H-purin-6-yl(pyrrolidin-2-yl)methoxy]indole-2-carboxamide
CID 67445733
3-(7-azabicyclo[2.2.1]heptan-2-yl)-N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-methylpropanamide
CID 91207690
(4R)-4-[(1R)-1-[6-(4-fluoro-3-methoxyphenyl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842664
4-[(1R)-1-[6-(4-fluoro-3-methoxyphenyl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842665

Frequently Asked Questions

What is the IUPAC name of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one?
The IUPAC name of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one (CID 123563005) is 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one.
What is the SMILES notation for 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one?
The canonical SMILES for 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one is CC(Oc1nc(-c2ccc3c(c2)NC(=O)C3(F)F)cc2ncn(C3CC3)c12)C1CNC(=O)C1.
What is the InChIKey of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one?
The InChIKey is HHYQOZVIMKPCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N5O3/c1-11(13-7-19(31)26-9-13)33-21-20-18(27-10-30(20)14-3-4-14)8-16(28-21)12-2-5-15-17(6-12)29-22(32)23(15,24)25/h2,5-6,8,10-11,13-14H,3-4,7,9H2,1H3,(H,26,31)(H,29,32).
What are the key properties of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one?
6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one has a molecular weight of 453.45 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3,3-difluoro-1H-indol-2-one is sourced from PubChem (CID 123563005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).