cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine

C24H23FN4 — CID 178079073

About cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine

cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine (PubChem CID 178079073) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine
• PubChem CID: 178079073
• Molecular Formula: C24H23FN4
• Molecular Weight: 386.47 g/mol
• Exact Mass: 386.19
• IUPAC Name: cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine
• SMILES: N[C@@H]1CCC[C@H](c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)C1
• InChI: InChI=1S/C24H23FN4/c25-20-7-4-17(5-8-20)24-23(16-10-12-27-13-11-16)22-9-6-19(15-29(22)28-24)18-2-1-3-21(26)14-18/h4-13,15,18,21H,1-3,14,26H2/t18-,21+/m0/s1
• InChIKey: JYJXDLFNPHFXJR-GHTZIAJQSA-N
• XLogP: 5.19
• TPSA: 56.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.47
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine?

The IUPAC name of cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine (CID 178079073) is cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine.

What is the SMILES notation for cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine?

The canonical SMILES for cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine is N[C@@H]1CCC[C@H](c2ccc3c(-c4ccncc4)c(-c4ccc(F)cc4)nn3c2)C1.

What is the InChIKey of cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine?

The InChIKey is JYJXDLFNPHFXJR-GHTZIAJQSA-N. The full InChI is InChI=1S/C24H23FN4/c25-20-7-4-17(5-8-20)24-23(16-10-12-27-13-11-16)22-9-6-19(15-29(22)28-24)18-2-1-3-21(26)14-18/h4-13,15,18,21H,1-3,14,26H2/t18-,21+/m0/s1.

What are the key properties of cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine?

cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine has a molecular weight of 386.47 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[2-(4-fluorophenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyridin-6-yl]cyclohexan-1-amine is sourced from PubChem (CID 178079073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).