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

C20H19F2N7 — CID 169129846

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

3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine (PubChem CID 169129846) has the molecular formula C20H19F2N7 and a molecular weight of 395.42 g/mol. Its IUPAC name is 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
• PubChem CID: 169129846
• Molecular Formula: C20H19F2N7
• Molecular Weight: 395.42 g/mol
• Exact Mass: 395.17
• IUPAC Name: 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine
• SMILES: Fc1cc(F)c(-c2cnc3cc(-c4ncc[nH]4)ccn23)nc1N[C@H]1CCCNC1
• InChI: InChI=1S/C20H19F2N7/c21-14-9-15(22)20(27-13-2-1-4-23-10-13)28-18(14)16-11-26-17-8-12(3-7-29(16)17)19-24-5-6-25-19/h3,5-9,11,13,23H,1-2,4,10H2,(H,24,25)(H,27,28)/t13-/m0/s1
• InChIKey: UTUMMFIFGARRLV-ZDUSSCGKSA-N
• XLogP: 3.23
• TPSA: 82.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?

The IUPAC name of 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine (CID 169129846) is 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine.

What is the SMILES notation for 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?

The canonical SMILES for 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine is Fc1cc(F)c(-c2cnc3cc(-c4ncc[nH]4)ccn23)nc1N[C@H]1CCCNC1.

What is the InChIKey of 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?

The InChIKey is UTUMMFIFGARRLV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F2N7/c21-14-9-15(22)20(27-13-2-1-4-23-10-13)28-18(14)16-11-26-17-8-12(3-7-29(16)17)19-24-5-6-25-19/h3,5-9,11,13,23H,1-2,4,10H2,(H,24,25)(H,27,28)/t13-/m0/s1.

What are the key properties of 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine?

3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine has a molecular weight of 395.42 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-difluoro-6-[7-(1H-imidazol-2-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(3S)-piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 169129846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).