[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone

C24H27N5O2 — CID 134796294

IUPAC[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C24H27N5O2/c1-16-5-2-3-6-19(16)24(31)29-14-10-18(15-29)23(30)28-12-8-17(9-13-28)21-26-20-7-4-11-25-22(20)27-21/h2-7,11,17-18H,8-10,12-15H2,1H3,(H,25,26,27)
InChIKeyZJLJPFRIEXCMEX-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.13
Rot. Bonds3

About [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone

[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone (PubChem CID 134796294) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
PubChem CID134796294
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1
InChIInChI=1S/C24H27N5O2/c1-16-5-2-3-6-19(16)24(31)29-14-10-18(15-29)23(30)28-12-8-17(9-13-28)21-26-20-7-4-11-25-22(20)27-21/h2-7,11,17-18H,8-10,12-15H2,1H3,(H,25,26,27)
InChIKeyZJLJPFRIEXCMEX-UHFFFAOYSA-N
XLogP3.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclopentyl-3-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134798664
CID 134799766
CID 134799766
CID 134798803
CID 134798803
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-[4-(trifluoromethyl)benzoyl]piperidin-3-yl]methanone
CID 134800138
N-cyclopentyl-4-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]piperidine-1-carboxamide
CID 134796615
[1-(3-chlorobenzoyl)piperidin-4-yl]-[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134793641
tert-butyl 4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carboxylate
CID 22308646
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
[1-(6-chloropyridine-3-carbonyl)piperidin-4-yl]-[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 134795090
[1-(2-chlorobenzoyl)piperidin-3-yl]-[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 134799871
[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 70730737

Frequently Asked Questions

What is the IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone (CID 134796294) is [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone is Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3nc4ncccc4[nH]3)CC2)C1.
What is the InChIKey of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?
The InChIKey is ZJLJPFRIEXCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-16-5-2-3-6-19(16)24(31)29-14-10-18(15-29)23(30)28-12-8-17(9-13-28)21-26-20-7-4-11-25-22(20)27-21/h2-7,11,17-18H,8-10,12-15H2,1H3,(H,25,26,27).
What are the key properties of [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone?
[4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone has a molecular weight of 417.51 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(2-methylbenzoyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 134796294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).