1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C21H29N5O2 — CID 134795190

IUPAC1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C21H29N5O2/c1-21(2,3)20(28)25-10-4-6-14(13-25)19(27)26-11-5-7-17(26)18-23-15-8-9-22-12-16(15)24-18/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24)
InChIKeyIVQNSXIXIYBOLT-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.91
Rot. Bonds2

About 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 134795190) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID134795190
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)C1
InChIInChI=1S/C21H29N5O2/c1-21(2,3)20(28)25-10-4-6-14(13-25)19(27)26-11-5-7-17(26)18-23-15-8-9-22-12-16(15)24-18/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24)
InChIKeyIVQNSXIXIYBOLT-UHFFFAOYSA-N
XLogP2.91
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 134798379
cyclopentyl-[3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
CID 134798256
cyclopentyl-[3-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 134797363
(1-benzoylpiperidin-3-yl)-[4-(3H-imidazo[4,5-c]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795960
1-[3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134799971
N-(4-chlorophenyl)-3-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxamide
CID 134796934
[1-(6-chloropyridine-3-carbonyl)pyrrolidin-2-yl]-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134796415
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790
methyl 4-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidine-1-carboxylate
CID 134796420

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 134795190) is 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC(C(=O)N2CCCC2c2nc3ccncc3[nH]2)C1.
What is the InChIKey of 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IVQNSXIXIYBOLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-21(2,3)20(28)25-10-4-6-14(13-25)19(27)26-11-5-7-17(26)18-23-15-8-9-22-12-16(15)24-18/h8-9,12,14,17H,4-7,10-11,13H2,1-3H3,(H,23,24).
What are the key properties of 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 383.50 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 134795190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).