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

C24H27N5O3 — CID 134794098

IUPAC[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N3CCCC3c3nc4ccncc4[nH]3)CC2)c1
InChIInChI=1S/C24H27N5O3/c1-32-18-5-2-4-17(14-18)23(30)28-12-8-16(9-13-28)24(31)29-11-3-6-21(29)22-26-19-7-10-25-15-20(19)27-22/h2,4-5,7,10,14-16,21H,3,6,8-9,11-13H2,1H3,(H,26,27)
InChIKeyPECZQSWTZCBOOH-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.18
Rot. Bonds4

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

[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 134794098) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone
PubChem CID134794098
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1cccc(C(=O)N2CCC(C(=O)N3CCCC3c3nc4ccncc4[nH]3)CC2)c1
InChIInChI=1S/C24H27N5O3/c1-32-18-5-2-4-17(14-18)23(30)28-12-8-16(9-13-28)24(31)29-11-3-6-21(29)22-26-19-7-10-25-15-20(19)27-22/h2,4-5,7,10,14-16,21H,3,6,8-9,11-13H2,1H3,(H,26,27)
InChIKeyPECZQSWTZCBOOH-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone (CID 134794098) is [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone is COc1cccc(C(=O)N2CCC(C(=O)N3CCCC3c3nc4ccncc4[nH]3)CC2)c1.
What is the InChIKey of [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is PECZQSWTZCBOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-18-5-2-4-17(14-18)23(30)28-12-8-16(9-13-28)24(31)29-11-3-6-21(29)22-26-19-7-10-25-15-20(19)27-22/h2,4-5,7,10,14-16,21H,3,6,8-9,11-13H2,1H3,(H,26,27).
What are the key properties of [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone?
[2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3H-imidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]-[1-(3-methoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134794098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).