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

C18H17FN8 — CID 169129425

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

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 169129425) has the molecular formula C18H17FN8 and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
• PubChem CID: 169129425
• Molecular Formula: C18H17FN8
• Molecular Weight: 364.39 g/mol
• Exact Mass: 364.16
• IUPAC Name: N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine
• SMILES: F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4cn[nH]n4)ccn23)n1
• InChI: InChI=1S/C18H17FN8/c19-12-7-20-8-15(12)24-17-3-1-2-13(23-17)16-10-21-18-6-11(4-5-27(16)18)14-9-22-26-25-14/h1-6,9-10,12,15,20H,7-8H2,(H,23,24)(H,22,25,26)/t12-,15-/m0/s1
• InChIKey: HZQIHMCLOJRZHS-WFASDCNBSA-N
• XLogP: 1.90
• TPSA: 95.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.39
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The IUPAC name of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine (CID 169129425) is N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine.

What is the SMILES notation for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The canonical SMILES for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is F[C@H]1CNC[C@@H]1Nc1cccc(-c2cnc3cc(-c4cn[nH]n4)ccn23)n1.

What is the InChIKey of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

The InChIKey is HZQIHMCLOJRZHS-WFASDCNBSA-N. The full InChI is InChI=1S/C18H17FN8/c19-12-7-20-8-15(12)24-17-3-1-2-13(23-17)16-10-21-18-6-11(4-5-27(16)18)14-9-22-26-25-14/h1-6,9-10,12,15,20H,7-8H2,(H,23,24)(H,22,25,26)/t12-,15-/m0/s1.

What are the key properties of N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine?

N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 364.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-[7-(2H-triazol-4-yl)imidazo[1,2-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 169129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).