2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile

C22H20FN7 — CID 58824357

IUPAC2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC#N)ccn23)n1
InChIInChI=1S/C22H20FN7/c1-25-22-26-10-7-18(27-22)21-20(16-3-5-17(23)6-4-16)28-19-13-15(8-11-30(19)21)14-29(2)12-9-24/h3-8,10-11,13H,12,14H2,1-2H3,(H,25,26,27)
InChIKeyAKESJUFGAKLVEG-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.59
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile

2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile (PubChem CID 58824357) has the molecular formula C22H20FN7 and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
PubChem CID58824357
Molecular FormulaC22H20FN7
Molecular Weight401.45 g/mol
Exact Mass401.18
IUPAC Name2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile
SMILESCNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC#N)ccn23)n1
InChIInChI=1S/C22H20FN7/c1-25-22-26-10-7-18(27-22)21-20(16-3-5-17(23)6-4-16)28-19-13-15(8-11-30(19)21)14-29(2)12-9-24/h3-8,10-11,13H,12,14H2,1-2H3,(H,25,26,27)
InChIKeyAKESJUFGAKLVEG-UHFFFAOYSA-N
XLogP3.59
TPSA82.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile?
The IUPAC name of 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile (CID 58824357) is 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile?
The canonical SMILES for 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile is CNc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CN(C)CC#N)ccn23)n1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile?
The InChIKey is AKESJUFGAKLVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7/c1-25-22-26-10-7-18(27-22)21-20(16-3-5-17(23)6-4-16)28-19-13-15(8-11-30(19)21)14-29(2)12-9-24/h3-8,10-11,13H,12,14H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile?
2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile has a molecular weight of 401.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]acetonitrile is sourced from PubChem (CID 58824357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).