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

C25H29N5O3 — CID 134791940

IUPAC[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCCC(c4nc5ncccc5[nH]4)C3)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-33-20-8-6-17(7-9-20)24(31)29-14-10-18(11-15-29)25(32)30-13-3-4-19(16-30)22-27-21-5-2-12-26-23(21)28-22/h2,5-9,12,18-19H,3-4,10-11,13-16H2,1H3,(H,26,27,28)
InChIKeyVZQSRUCHXSPRKN-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.22
Rot. Bonds4

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

[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (PubChem CID 134791940) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
PubChem CID134791940
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(C(=O)N3CCCC(c4nc5ncccc5[nH]4)C3)CC2)cc1
InChIInChI=1S/C25H29N5O3/c1-33-20-8-6-17(7-9-20)24(31)29-14-10-18(11-15-29)25(32)30-13-3-4-19(16-30)22-27-21-5-2-12-26-23(21)28-22/h2,5-9,12,18-19H,3-4,10-11,13-16H2,1H3,(H,26,27,28)
InChIKeyVZQSRUCHXSPRKN-UHFFFAOYSA-N
XLogP3.22
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone (CID 134791940) is [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is COc1ccc(C(=O)N2CCC(C(=O)N3CCCC(c4nc5ncccc5[nH]4)C3)CC2)cc1.
What is the InChIKey of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is VZQSRUCHXSPRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-33-20-8-6-17(7-9-20)24(31)29-14-10-18(11-15-29)25(32)30-13-3-4-19(16-30)22-27-21-5-2-12-26-23(21)28-22/h2,5-9,12,18-19H,3-4,10-11,13-16H2,1H3,(H,26,27,28).
What are the key properties of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone?
[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 447.54 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 134791940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).