6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one

C29H31F3N6O3 — CID 123571989

IUPAC6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(Oc1nc(-c2ccc3c(c2)NC(=O)C32CCN(CC(F)(F)F)CC2)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C29H31F3N6O3/c1-16(18-11-24(39)33-13-18)41-26-25-23(34-15-38(25)19-3-4-19)12-21(35-26)17-2-5-20-22(10-17)36-27(40)28(20)6-8-37(9-7-28)14-29(30,31)32/h2,5,10,12,15-16,18-19H,3-4,6-9,11,13-14H2,1H3,(H,33,39)(H,36,40)
InChIKeyJTGFYEGDEBIRFP-UHFFFAOYSA-N
MW568.60 g/mol
LogP4.18
Rot. Bonds6

About 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one

6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 123571989) has the molecular formula C29H31F3N6O3 and a molecular weight of 568.60 g/mol. Its IUPAC name is 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID123571989
Molecular FormulaC29H31F3N6O3
Molecular Weight568.60 g/mol
Exact Mass568.24
IUPAC Name6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one
SMILESCC(Oc1nc(-c2ccc3c(c2)NC(=O)C32CCN(CC(F)(F)F)CC2)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C29H31F3N6O3/c1-16(18-11-24(39)33-13-18)41-26-25-23(34-15-38(25)19-3-4-19)12-21(35-26)17-2-5-20-22(10-17)36-27(40)28(20)6-8-37(9-7-28)14-29(30,31)32/h2,5,10,12,15-16,18-19H,3-4,6-9,11,13-14H2,1H3,(H,33,39)(H,36,40)
InChIKeyJTGFYEGDEBIRFP-UHFFFAOYSA-N
XLogP4.18
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-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

US11203591, Example 181
CID 152916830
US11203591, Example 34
CID 153578846
(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
(R)-4-((R)-1-((3-cyclopropyl-6-(4-(difluoromethoxy)-3-methoxyphenyl)-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117842685
4-[(1R)-1-[3-cyclopropyl-6-[4-(difluoromethoxy)-3-methoxyphenyl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842686
tert-butyl 4-[5-[3-cyclopropyl-4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 117842690
tert-butyl 4-[5-[3-cyclopropyl-4-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-3-fluoro-2-pyridinyl]piperazine-1-carboxylate
CID 117842691
(4R)-4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2-fluoroethyl]pyrrolidin-2-one
CID 117842837
4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2-fluoroethyl]pyrrolidin-2-one
CID 117842838
tert-butyl 4-(4-(3-(difluoromethyl)-4-((R)-1-((R)-5-oxopyrrolidin-3-yl)ethoxy)-3H-imidazo[4,5-c]pyridin-6-yl)phenyl)piperazine-1-carboxylate
CID 117842845
tert-butyl 4-[4-[3-(difluoromethyl)-4-[(1R)-1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]phenyl]piperazine-1-carboxylate
CID 117842846

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]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one (CID 123571989) is 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-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]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one is CC(Oc1nc(-c2ccc3c(c2)NC(=O)C32CCN(CC(F)(F)F)CC2)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]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is JTGFYEGDEBIRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31F3N6O3/c1-16(18-11-24(39)33-13-18)41-26-25-23(34-15-38(25)19-3-4-19)12-21(35-26)17-2-5-20-22(10-17)36-27(40)28(20)6-8-37(9-7-28)14-29(30,31)32/h2,5,10,12,15-16,18-19H,3-4,6-9,11,13-14H2,1H3,(H,33,39)(H,36,40).
What are the key properties of 6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one?
6-[3-cyclopropyl-4-[1-(5-oxopyrrolidin-3-yl)ethoxy]imidazo[4,5-c]pyridin-6-yl]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 568.60 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]-1'-(2,2,2-trifluoroethyl)spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 123571989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).