3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

C20H17F5N8 — CID 169129474

IUPAC3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1cc(F)c(-c2cnc3cc(-c4n[nH]c(C(F)(F)F)n4)ccn23)nc1NC1CCCNC1
InChIInChI=1S/C20H17F5N8/c21-12-7-13(22)18(28-11-2-1-4-26-8-11)29-16(12)14-9-27-15-6-10(3-5-33(14)15)17-30-19(32-31-17)20(23,24)25/h3,5-7,9,11,26H,1-2,4,8H2,(H,28,29)(H,30,31,32)
InChIKeyIVFDTLBCEPPBGL-UHFFFAOYSA-N
MW464.40 g/mol
LogP3.64
Rot. Bonds4

About 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine

3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 169129474) has the molecular formula C20H17F5N8 and a molecular weight of 464.40 g/mol. Its IUPAC name is 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID169129474
Molecular FormulaC20H17F5N8
Molecular Weight464.40 g/mol
Exact Mass464.15
IUPAC Name3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1cc(F)c(-c2cnc3cc(-c4n[nH]c(C(F)(F)F)n4)ccn23)nc1NC1CCCNC1
InChIInChI=1S/C20H17F5N8/c21-12-7-13(22)18(28-11-2-1-4-26-8-11)29-16(12)14-9-27-15-6-10(3-5-33(14)15)17-30-19(32-31-17)20(23,24)25/h3,5-7,9,11,26H,1-2,4,8H2,(H,28,29)(H,30,31,32)
InChIKeyIVFDTLBCEPPBGL-UHFFFAOYSA-N
XLogP3.64
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-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 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 169129474) is 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is Fc1cc(F)c(-c2cnc3cc(-c4n[nH]c(C(F)(F)F)n4)ccn23)nc1NC1CCCNC1.
What is the InChIKey of 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is IVFDTLBCEPPBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N8/c21-12-7-13(22)18(28-11-2-1-4-26-8-11)29-16(12)14-9-27-15-6-10(3-5-33(14)15)17-30-19(32-31-17)20(23,24)25/h3,5-7,9,11,26H,1-2,4,8H2,(H,28,29)(H,30,31,32).
What are the key properties of 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?
3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 464.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-piperidin-3-yl-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 169129474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).