N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

C23H27F3N4 — CID 178040632

About N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine

N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (PubChem CID 178040632) has the molecular formula C23H27F3N4 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

Molecular Properties

• Compound Name: N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• PubChem CID: 178040632
• Molecular Formula: C23H27F3N4
• Molecular Weight: 416.49 g/mol
• Exact Mass: 416.22
• IUPAC Name: N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine
• SMILES: C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2N(C)c1ccccn1
• InChI: InChI=1S/C23H27F3N4/c1-4-9-17(15-18(10-5-2)23(24,25)26)19-16-21-20(11-8-14-30(21)28-19)29(3)22-12-6-7-13-27-22/h4,6-7,9-10,12-13,15-16,20H,5,8,11,14H2,1-3H3/b9-4-,17-15+,18-10-
• InChIKey: OASSGKPMZFWNSO-PMZYCXHMSA-N
• XLogP: 6.11
• TPSA: 33.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.49
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The IUPAC name of N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine (CID 178040632) is N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine.

What is the SMILES notation for N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The canonical SMILES for N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is C/C=C\C(=C/C(=C/CC)C(F)(F)F)c1cc2n(n1)CCCC2N(C)c1ccccn1.

What is the InChIKey of N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

The InChIKey is OASSGKPMZFWNSO-PMZYCXHMSA-N. The full InChI is InChI=1S/C23H27F3N4/c1-4-9-17(15-18(10-5-2)23(24,25)26)19-16-21-20(11-8-14-30(21)28-19)29(3)22-12-6-7-13-27-22/h4,6-7,9-10,12-13,15-16,20H,5,8,11,14H2,1-3H3/b9-4-,17-15+,18-10-.

What are the key properties of N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine?

N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine has a molecular weight of 416.49 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-pyridin-2-yl-2-[(2Z,4E,6Z)-6-(trifluoromethyl)nona-2,4,6-trien-4-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 178040632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).