1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide

C28H24N6O — CID 58345313

IUPAC1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C28H24N6O/c29-24-21(8-4-17-31-24)25-33-23-14-13-22(18-6-2-1-3-7-18)32-26(23)34(25)20-11-9-19(10-12-20)28(27(30)35)15-5-16-28/h1-4,6-14,17H,5,15-16H2,(H2,29,31)(H2,30,35)
InChIKeyYMZSRLWGOZLRLF-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.64
Rot. Bonds5

About 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide

1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide (PubChem CID 58345313) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
PubChem CID58345313
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
SMILESNC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1
InChIInChI=1S/C28H24N6O/c29-24-21(8-4-17-31-24)25-33-23-14-13-22(18-6-2-1-3-7-18)32-26(23)34(25)20-11-9-19(10-12-20)28(27(30)35)15-5-16-28/h1-4,6-14,17H,5,15-16H2,(H2,29,31)(H2,30,35)
InChIKeyYMZSRLWGOZLRLF-UHFFFAOYSA-N
XLogP4.64
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide (CID 58345313) is 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide is NC(=O)C1(c2ccc(-n3c(-c4cccnc4N)nc4ccc(-c5ccccc5)nc43)cc2)CCC1.
What is the InChIKey of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide?
The InChIKey is YMZSRLWGOZLRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c29-24-21(8-4-17-31-24)25-33-23-14-13-22(18-6-2-1-3-7-18)32-26(23)34(25)20-11-9-19(10-12-20)28(27(30)35)15-5-16-28/h1-4,6-14,17H,5,15-16H2,(H2,29,31)(H2,30,35).
What are the key properties of 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide?
1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 58345313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).