2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

C16H12F2N4 — CID 133474557

IUPAC2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(C(F)F)cc2)nc2ccccn12
InChIInChI=1S/C16H12F2N4/c17-15(18)12-6-4-11(5-7-12)10-20-16-13(9-19)22-8-2-1-3-14(22)21-16/h1-8,15,20H,10H2
InChIKeyPCOKIWBWZPCHKD-UHFFFAOYSA-N
MW298.30 g/mol
LogP3.76
Rot. Bonds4

About 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile

2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 133474557) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID133474557
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1c(NCc2ccc(C(F)F)cc2)nc2ccccn12
InChIInChI=1S/C16H12F2N4/c17-15(18)12-6-4-11(5-7-12)10-20-16-13(9-19)22-8-2-1-3-14(22)21-16/h1-8,15,20H,10H2
InChIKeyPCOKIWBWZPCHKD-UHFFFAOYSA-N
XLogP3.76
TPSA53.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]propanamide
CID 75501853
2-(3-morpholin-4-ylpropylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462640
2-[(4-ethylsulfanyloxan-4-yl)methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 75453544
2-(oxolan-2-ylmethylamino)imidazo[1,2-a]pyridine-3-carbonitrile
CID 133462550
2-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 86787000
2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]-N-prop-2-enylacetamide
CID 133463556
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
[2-[[4-(difluoromethyl)phenyl]methylamino]quinolin-3-yl]methanol
CID 133474779
N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463158
3-chloro-2-[[4-(difluoromethyl)phenyl]methylamino]benzonitrile
CID 133474656
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
2-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]imidazo[1,2-a]pyridine-3-carbonitrile
CID 133463226

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile (CID 133474557) is 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1c(NCc2ccc(C(F)F)cc2)nc2ccccn12.
What is the InChIKey of 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is PCOKIWBWZPCHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c17-15(18)12-6-4-11(5-7-12)10-20-16-13(9-19)22-8-2-1-3-14(22)21-16/h1-8,15,20H,10H2.
What are the key properties of 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethyl)phenyl]methylamino]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 133474557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).