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

C24H27N5O3 — CID 134794563

IUPAC[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)N3CCC(c4nc5ccncc5[nH]4)C3)C2)c1
InChIInChI=1S/C24H27N5O3/c1-32-19-6-2-4-16(12-19)23(30)28-10-3-5-18(15-28)24(31)29-11-8-17(14-29)22-26-20-7-9-25-13-21(20)27-22/h2,4,6-7,9,12-13,17-18H,3,5,8,10-11,14-15H2,1H3,(H,26,27)
InChIKeyYSJMVHRZXOSMOB-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.83
Rot. Bonds4

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

[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone (PubChem CID 134794563) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone
PubChem CID134794563
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone
SMILESCOc1cccc(C(=O)N2CCCC(C(=O)N3CCC(c4nc5ccncc5[nH]4)C3)C2)c1
InChIInChI=1S/C24H27N5O3/c1-32-19-6-2-4-16(12-19)23(30)28-10-3-5-18(15-28)24(31)29-11-8-17(14-29)22-26-20-7-9-25-13-21(20)27-22/h2,4,6-7,9,12-13,17-18H,3,5,8,10-11,14-15H2,1H3,(H,26,27)
InChIKeyYSJMVHRZXOSMOB-UHFFFAOYSA-N
XLogP2.83
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone (CID 134794563) is [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone is COc1cccc(C(=O)N2CCCC(C(=O)N3CCC(c4nc5ccncc5[nH]4)C3)C2)c1.
What is the InChIKey of [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone?
The InChIKey is YSJMVHRZXOSMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-19-6-2-4-16(12-19)23(30)28-10-3-5-18(15-28)24(31)29-11-8-17(14-29)22-26-20-7-9-25-13-21(20)27-22/h2,4,6-7,9,12-13,17-18H,3,5,8,10-11,14-15H2,1H3,(H,26,27).
What are the key properties of [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone?
[3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 134794563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).