6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

C18H18F3N5O — CID 166961542

IUPAC6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-12-7-22-8-14(12)25-17-3-1-2-13(24-17)15-9-23-18-6-11(4-5-26(15)18)27-10-16(20)21/h1-6,9,12,14,16,22H,7-8,10H2,(H,24,25)/t12-,14-/m0/s1
InChIKeyPFFGWEAFYGGDLE-JSGCOSHPSA-N
MW377.37 g/mol
LogP2.76
Rot. Bonds6

About 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine

6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (PubChem CID 166961542) has the molecular formula C18H18F3N5O and a molecular weight of 377.37 g/mol. Its IUPAC name is 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
PubChem CID166961542
Molecular FormulaC18H18F3N5O
Molecular Weight377.37 g/mol
Exact Mass377.15
IUPAC Name6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine
SMILESFC(F)COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1
InChIInChI=1S/C18H18F3N5O/c19-12-7-22-8-14(12)25-17-3-1-2-13(24-17)15-9-23-18-6-11(4-5-26(15)18)27-10-16(20)21/h1-6,9,12,14,16,22H,7-8,10H2,(H,24,25)/t12-,14-/m0/s1
InChIKeyPFFGWEAFYGGDLE-JSGCOSHPSA-N
XLogP2.76
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine 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 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The IUPAC name of 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine (CID 166961542) is 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine.
What is the SMILES notation for 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The canonical SMILES for 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is FC(F)COc1ccn2c(-c3cccc(N[C@H]4CNC[C@@H]4F)n3)cnc2c1.
What is the InChIKey of 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
The InChIKey is PFFGWEAFYGGDLE-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H18F3N5O/c19-12-7-22-8-14(12)25-17-3-1-2-13(24-17)15-9-23-18-6-11(4-5-26(15)18)27-10-16(20)21/h1-6,9,12,14,16,22H,7-8,10H2,(H,24,25)/t12-,14-/m0/s1.
What are the key properties of 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine?
6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine has a molecular weight of 377.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(2,2-difluoroethoxy)imidazo[1,2-a]pyridin-3-yl]-N-[(3S,4S)-4-fluoropyrrolidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 166961542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).