N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide

C29H26N6O — CID 58345166

IUPACN-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide
SMILESCC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C29H26N6O/c1-19(36)34-29(16-6-17-29)21-10-12-22(13-11-21)35-27(23-9-5-18-31-26(23)30)33-25-15-14-24(32-28(25)35)20-7-3-2-4-8-20/h2-5,7-15,18H,6,16-17H2,1H3,(H2,30,31)(H,34,36)
InChIKeyWLRQALGKINNDBN-UHFFFAOYSA-N
MW474.57 g/mol
LogP5.25
Rot. Bonds5

About N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide

N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide (PubChem CID 58345166) has the molecular formula C29H26N6O and a molecular weight of 474.57 g/mol. Its IUPAC name is N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide
PubChem CID58345166
Molecular FormulaC29H26N6O
Molecular Weight474.57 g/mol
Exact Mass474.22
IUPAC NameN-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide
SMILESCC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C29H26N6O/c1-19(36)34-29(16-6-17-29)21-10-12-22(13-11-21)35-27(23-9-5-18-31-26(23)30)33-25-15-14-24(32-28(25)35)20-7-3-2-4-8-20/h2-5,7-15,18H,6,16-17H2,1H3,(H2,30,31)(H,34,36)
InChIKeyWLRQALGKINNDBN-UHFFFAOYSA-N
XLogP5.25
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.57
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide?
The IUPAC name of N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide (CID 58345166) is N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide.
What is the SMILES notation for N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide?
The canonical SMILES for N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide is CC(=O)NC1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1.
What is the InChIKey of N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide?
The InChIKey is WLRQALGKINNDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O/c1-19(36)34-29(16-6-17-29)21-10-12-22(13-11-21)35-27(23-9-5-18-31-26(23)30)33-25-15-14-24(32-28(25)35)20-7-3-2-4-8-20/h2-5,7-15,18H,6,16-17H2,1H3,(H2,30,31)(H,34,36).
What are the key properties of N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide?
N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide has a molecular weight of 474.57 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutyl]acetamide is sourced from PubChem (CID 58345166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).