N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine

C18H16FN5O — CID 162654444

IUPACN-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccn2c(Nc3cccc(F)c3)c(-c3cn(C)cn3)nc2c1
InChIInChI=1S/C18H16FN5O/c1-23-10-15(20-11-23)17-18(21-13-5-3-4-12(19)8-13)24-7-6-14(25-2)9-16(24)22-17/h3-11,21H,1-2H3
InChIKeyCTAVCGQOAYSTOU-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.63
Rot. Bonds4

About N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine

N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 162654444) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID162654444
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCOc1ccn2c(Nc3cccc(F)c3)c(-c3cn(C)cn3)nc2c1
InChIInChI=1S/C18H16FN5O/c1-23-10-15(20-11-23)17-18(21-13-5-3-4-12(19)8-13)24-7-6-14(25-2)9-16(24)22-17/h3-11,21H,1-2H3
InChIKeyCTAVCGQOAYSTOU-UHFFFAOYSA-N
XLogP3.63
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine (CID 162654444) is N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine is COc1ccn2c(Nc3cccc(F)c3)c(-c3cn(C)cn3)nc2c1.
What is the InChIKey of N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is CTAVCGQOAYSTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-23-10-15(20-11-23)17-18(21-13-5-3-4-12(19)8-13)24-7-6-14(25-2)9-16(24)22-17/h3-11,21H,1-2H3.
What are the key properties of N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine?
N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 337.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-7-methoxy-2-(1-methylimidazol-4-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 162654444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).