2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide

C26H19N7O — CID 58345129

IUPAC2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)c1
InChIInChI=1S/C26H19N7O/c27-16-18-4-1-5-19(14-18)31-23(34)15-17-8-10-20(11-9-17)33-25(21-6-2-12-29-24(21)28)32-22-7-3-13-30-26(22)33/h1-14H,15H2,(H2,28,29)(H,31,34)
InChIKeyOBJFIXBCKUIKHS-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.12
Rot. Bonds5

About 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide (PubChem CID 58345129) has the molecular formula C26H19N7O and a molecular weight of 445.49 g/mol. Its IUPAC name is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
PubChem CID58345129
Molecular FormulaC26H19N7O
Molecular Weight445.49 g/mol
Exact Mass445.17
IUPAC Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide
SMILESN#Cc1cccc(NC(=O)Cc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)c1
InChIInChI=1S/C26H19N7O/c27-16-18-4-1-5-19(14-18)31-23(34)15-17-8-10-20(11-9-17)33-25(21-6-2-12-29-24(21)28)32-22-7-3-13-30-26(22)33/h1-14H,15H2,(H2,28,29)(H,31,34)
InChIKeyOBJFIXBCKUIKHS-UHFFFAOYSA-N
XLogP4.12
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?
The IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide (CID 58345129) is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide is N#Cc1cccc(NC(=O)Cc2ccc(-n3c(-c4cccnc4N)nc4cccnc43)cc2)c1.
What is the InChIKey of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?
The InChIKey is OBJFIXBCKUIKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O/c27-16-18-4-1-5-19(14-18)31-23(34)15-17-8-10-20(11-9-17)33-25(21-6-2-12-29-24(21)28)32-22-7-3-13-30-26(22)33/h1-14H,15H2,(H2,28,29)(H,31,34).
What are the key properties of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide?
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide has a molecular weight of 445.49 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-(3-cyanophenyl)acetamide is sourced from PubChem (CID 58345129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).