7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H28N6O3 — CID 57328467

IUPAC7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc3ncc(C(N)=O)c(NCCCNC(=O)C4CCCC4)c3[nH]2)cc1
InChIInChI=1S/C23H28N6O3/c1-32-16-9-7-14(8-10-16)21-28-19-18(17(20(24)30)13-27-22(19)29-21)25-11-4-12-26-23(31)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,30)(H,26,31)(H2,25,27,28,29)
InChIKeyXHNAYNYWJBNROG-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.84
Rot. Bonds9

About 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 57328467) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID57328467
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESCOc1ccc(-c2nc3ncc(C(N)=O)c(NCCCNC(=O)C4CCCC4)c3[nH]2)cc1
InChIInChI=1S/C23H28N6O3/c1-32-16-9-7-14(8-10-16)21-28-19-18(17(20(24)30)13-27-22(19)29-21)25-11-4-12-26-23(31)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,30)(H,26,31)(H2,25,27,28,29)
InChIKeyXHNAYNYWJBNROG-UHFFFAOYSA-N
XLogP2.84
TPSA135.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 57328467) is 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is COc1ccc(-c2nc3ncc(C(N)=O)c(NCCCNC(=O)C4CCCC4)c3[nH]2)cc1.
What is the InChIKey of 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is XHNAYNYWJBNROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-32-16-9-7-14(8-10-16)21-28-19-18(17(20(24)30)13-27-22(19)29-21)25-11-4-12-26-23(31)15-5-2-3-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H2,24,30)(H,26,31)(H2,25,27,28,29).
What are the key properties of 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.84, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclopentanecarbonylamino)propylamino]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 57328467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).