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

C24H26N6O3 — CID 144786754

IUPAC6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc2[nH]cnc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H26N6O3/c1-13(15-9-20(31)26-11-15)33-22-21-19(27-12-28-21)10-17(29-22)14-2-3-16-18(8-14)30-23(32)24(16)4-6-25-7-5-24/h2-3,8,10,12-13,15,25H,4-7,9,11H2,1H3,(H,26,31)(H,27,28)(H,30,32)/t13-,15-/m1/s1
InChIKeyNZVYJUBKYIELSD-UKRRQHHQSA-N
MW446.51 g/mol
LogP2.10
Rot. Bonds4

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

6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one (PubChem CID 144786754) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one
PubChem CID144786754
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one
SMILESC[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc2[nH]cnc12)[C@H]1CNC(=O)C1
InChIInChI=1S/C24H26N6O3/c1-13(15-9-20(31)26-11-15)33-22-21-19(27-12-28-21)10-17(29-22)14-2-3-16-18(8-14)30-23(32)24(16)4-6-25-7-5-24/h2-3,8,10,12-13,15,25H,4-7,9,11H2,1H3,(H,26,31)(H,27,28)(H,30,32)/t13-,15-/m1/s1
InChIKeyNZVYJUBKYIELSD-UKRRQHHQSA-N
XLogP2.10
TPSA121.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]-3-pyridinyl]-3-[1-(1H-imidazol-2-yl)-2-methylpropan-2-yl]-1,3-dihydroindol-2-one
CID 44412832
5-(5-((S)-2-amino-3-(1H-indol-3-yl)propoxy)pyridin-3-yl)-3-(1H-imidazol-2-yl)indolin-2-one
CID 45482053
US11203591, Example 181
CID 152916830
US11203591, Example 34
CID 153578846
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
(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
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
(4R)-4-[(1R)-1-[3-cyclopropyl-6-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842954
4-[(1R)-1-[3-cyclopropyl-6-(5-fluoro-6-piperazin-1-yl-3-pyridinyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842955
(R)-4-((R)-1-((3-(difluoromethyl)-6-(4-(piperazin-1-yl)phenyl)-3H-imidazo[4,5-c]pyridin-4-yl)oxy)ethyl)pyrrolidin-2-one
CID 117843082

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The IUPAC name of 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one (CID 144786754) is 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The canonical SMILES for 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one is C[C@@H](Oc1nc(-c2ccc3c(c2)NC(=O)C32CCNCC2)cc2[nH]cnc12)[C@H]1CNC(=O)C1.
What is the InChIKey of 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
The InChIKey is NZVYJUBKYIELSD-UKRRQHHQSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-13(15-9-20(31)26-11-15)33-22-21-19(27-12-28-21)10-17(29-22)14-2-3-16-18(8-14)30-23(32)24(16)4-6-25-7-5-24/h2-3,8,10,12-13,15,25H,4-7,9,11H2,1H3,(H,26,31)(H,27,28)(H,30,32)/t13-,15-/m1/s1.
What are the key properties of 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one?
6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one has a molecular weight of 446.51 g/mol, XLogP of 2.10, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]-1H-imidazo[4,5-c]pyridin-6-yl]spiro[1H-indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 144786754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).