7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C28H37N7O3 — CID 70685233

IUPAC7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCCNC(=O)C1CCC1
InChIInChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34)
InChIKeyIUDBEIQBJIEKNX-UHFFFAOYSA-N
MW519.65 g/mol
LogP3.31
Rot. Bonds12

About 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70685233) has the molecular formula C28H37N7O3 and a molecular weight of 519.65 g/mol. Its IUPAC name is 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70685233
Molecular FormulaC28H37N7O3
Molecular Weight519.65 g/mol
Exact Mass519.30
IUPAC Name7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
SMILESNC(=O)c1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCCNC(=O)C1CCC1
InChIInChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34)
InChIKeyIUDBEIQBJIEKNX-UHFFFAOYSA-N
XLogP3.31
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.65
LogP ≤ 53.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 70685233) is 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is NC(=O)c1cnc2nc(-c3ccc(OCCN4CCCCC4)cc3)[nH]c2c1NCCCNC(=O)C1CCC1.
What is the InChIKey of 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is IUDBEIQBJIEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O3/c29-25(36)22-18-32-27-24(23(22)30-12-5-13-31-28(37)20-6-4-7-20)33-26(34-27)19-8-10-21(11-9-19)38-17-16-35-14-2-1-3-15-35/h8-11,18,20H,1-7,12-17H2,(H2,29,36)(H,31,37)(H2,30,32,33,34).
What are the key properties of 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?
7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 519.65 g/mol, XLogP of 3.31, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(cyclobutanecarbonylamino)propylamino]-2-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70685233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).