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

C26H22N6O — CID 58345118

IUPACN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H22N6O/c27-24-21(8-4-14-28-24)25-31-22-9-5-15-29-26(22)32(25)20-12-10-19(11-13-20)17-30-23(33)16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,27,28)(H,30,33)
InChIKeyKUZJNSZAXWUWCY-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.92
Rot. Bonds6

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

N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide (PubChem CID 58345118) has the molecular formula C26H22N6O and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide
PubChem CID58345118
Molecular FormulaC26H22N6O
Molecular Weight434.50 g/mol
Exact Mass434.19
IUPAC NameN-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide
SMILESNc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C26H22N6O/c27-24-21(8-4-14-28-24)25-31-22-9-5-15-29-26(22)32(25)20-12-10-19(11-13-20)17-30-23(33)16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,27,28)(H,30,33)
InChIKeyKUZJNSZAXWUWCY-UHFFFAOYSA-N
XLogP3.92
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide (CID 58345118) is N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide is Nc1ncccc1-c1nc2cccnc2n1-c1ccc(CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide?
The InChIKey is KUZJNSZAXWUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O/c27-24-21(8-4-14-28-24)25-31-22-9-5-15-29-26(22)32(25)20-12-10-19(11-13-20)17-30-23(33)16-18-6-2-1-3-7-18/h1-15H,16-17H2,(H2,27,28)(H,30,33).
What are the key properties of N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide?
N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide has a molecular weight of 434.50 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-amino-3-pyridinyl)imidazo[4,5-b]pyridin-3-yl]phenyl]methyl]-2-phenylacetamide is sourced from PubChem (CID 58345118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).