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

C24H27N5O3 — CID 134795283

IUPAC[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)N2CCCC(c3nc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C24H27N5O3/c1-32-18-10-8-16(9-11-18)23(30)29-14-4-7-20(29)24(31)28-13-3-5-17(15-28)21-26-19-6-2-12-25-22(19)27-21/h2,6,8-12,17,20H,3-5,7,13-15H2,1H3,(H,25,26,27)
InChIKeyLDAAMBZJZWFGLC-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.98
Rot. Bonds4

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

[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone (PubChem CID 134795283) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
PubChem CID134795283
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC2C(=O)N2CCCC(c3nc4ncccc4[nH]3)C2)cc1
InChIInChI=1S/C24H27N5O3/c1-32-18-10-8-16(9-11-18)23(30)29-14-4-7-20(29)24(31)28-13-3-5-17(15-28)21-26-19-6-2-12-25-22(19)27-21/h2,6,8-12,17,20H,3-5,7,13-15H2,1H3,(H,25,26,27)
InChIKeyLDAAMBZJZWFGLC-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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)pyrrolidin-2-yl]methanone?
The IUPAC name of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone (CID 134795283) is [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone is COc1ccc(C(=O)N2CCCC2C(=O)N2CCCC(c3nc4ncccc4[nH]3)C2)cc1.
What is the InChIKey of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
The InChIKey is LDAAMBZJZWFGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-32-18-10-8-16(9-11-18)23(30)29-14-4-7-20(29)24(31)28-13-3-5-17(15-28)21-26-19-6-2-12-25-22(19)27-21/h2,6,8-12,17,20H,3-5,7,13-15H2,1H3,(H,25,26,27).
What are the key properties of [3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone?
[3-(1H-imidazo[4,5-b]pyridin-2-yl)piperidin-1-yl]-[1-(4-methoxybenzoyl)pyrrolidin-2-yl]methanone has a molecular weight of 433.51 g/mol, XLogP of 2.98, 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)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 134795283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).