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

C19H14F6N8 — CID 169129696

IUPAC3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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)nc1N[C@H]1CNC[C@@H]1F
InChIInChI=1S/C19H14F6N8/c20-9-4-10(21)17(28-12-6-26-5-11(12)22)29-15(9)13-7-27-14-3-8(1-2-33(13)14)16-30-18(32-31-16)19(23,24)25/h1-4,7,11-12,26H,5-6H2,(H,28,29)(H,30,31,32)/t11-,12-/m0/s1
InChIKeyYAOMYKKZRPPOND-RYUDHWBXSA-N
MW468.37 g/mol
LogP3.20
Rot. Bonds4

About 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-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 169129696) has the molecular formula C19H14F6N8 and a molecular weight of 468.37 g/mol. Its IUPAC name is 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
PubChem CID169129696
Molecular FormulaC19H14F6N8
Molecular Weight468.37 g/mol
Exact Mass468.12
IUPAC Name3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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)nc1N[C@H]1CNC[C@@H]1F
InChIInChI=1S/C19H14F6N8/c20-9-4-10(21)17(28-12-6-26-5-11(12)22)29-15(9)13-7-27-14-3-8(1-2-33(13)14)16-30-18(32-31-16)19(23,24)25/h1-4,7,11-12,26H,5-6H2,(H,28,29)(H,30,31,32)/t11-,12-/m0/s1
InChIKeyYAOMYKKZRPPOND-RYUDHWBXSA-N
XLogP3.20
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.37
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 169129696) is 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-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)nc1N[C@H]1CNC[C@@H]1F.
What is the InChIKey of 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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 YAOMYKKZRPPOND-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H14F6N8/c20-9-4-10(21)17(28-12-6-26-5-11(12)22)29-15(9)13-7-27-14-3-8(1-2-33(13)14)16-30-18(32-31-16)19(23,24)25/h1-4,7,11-12,26H,5-6H2,(H,28,29)(H,30,31,32)/t11-,12-/m0/s1.
What are the key properties of 3,5-difluoro-N-[(3S,4S)-4-fluoropyrrolidin-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-[(3S,4S)-4-fluoropyrrolidin-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 468.37 g/mol, XLogP of 3.20, 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-[(3S,4S)-4-fluoropyrrolidin-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 169129696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).