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

C25H20N6O — CID 58344912

IUPAC2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H20N6O/c26-23-20(8-4-14-27-23)24-30-21-9-5-15-28-25(21)31(24)19-12-10-17(11-13-19)16-22(32)29-18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
InChIKeyQMMOUPNLBRDPCF-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.25
Rot. Bonds5

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

2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide (PubChem CID 58344912) has the molecular formula C25H20N6O and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
PubChem CID58344912
Molecular FormulaC25H20N6O
Molecular Weight420.48 g/mol
Exact Mass420.17
IUPAC Name2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H20N6O/c26-23-20(8-4-14-27-23)24-30-21-9-5-15-28-25(21)31(24)19-12-10-17(11-13-19)16-22(32)29-18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32)
InChIKeyQMMOUPNLBRDPCF-UHFFFAOYSA-N
XLogP4.25
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-phenylacetamide?
The IUPAC name of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide (CID 58344912) is 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide?
The InChIKey is QMMOUPNLBRDPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O/c26-23-20(8-4-14-27-23)24-30-21-9-5-15-28-25(21)31(24)19-12-10-17(11-13-19)16-22(32)29-18-6-2-1-3-7-18/h1-15H,16H2,(H2,26,27)(H,29,32).
What are the key properties of 2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide?
2-[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]-N-phenylacetamide has a molecular weight of 420.48 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-phenylacetamide is sourced from PubChem (CID 58344912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).