(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

C20H20F3N7O — CID 134446382

About (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine

(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (PubChem CID 134446382) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

Molecular Properties

• Compound Name: (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
• PubChem CID: 134446382
• Molecular Formula: C20H20F3N7O
• Molecular Weight: 431.42 g/mol
• Exact Mass: 431.17
• IUPAC Name: (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine
• SMILES: [H]/N=C/C=C(\N)c1nccc2c(-c3cn[nH]c3C(F)(F)F)cc(N3CCOCC3C)nc12
• InChI: InChI=1S/C20H20F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-27-29-19(14)20(21,22)23)12-3-5-26-18(17(12)28-16)15(25)2-4-24/h2-5,8-9,11,24H,6-7,10,25H2,1H3,(H,27,29)/b15-2-,24-4+
• InChIKey: OWAOPWYGCYQPIF-GWMKJPJISA-N
• XLogP: 3.21
• TPSA: 116.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The IUPAC name of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine (CID 134446382) is (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine.

What is the SMILES notation for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The canonical SMILES for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is [H]/N=C/C=C(\N)c1nccc2c(-c3cn[nH]c3C(F)(F)F)cc(N3CCOCC3C)nc12.

What is the InChIKey of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

The InChIKey is OWAOPWYGCYQPIF-GWMKJPJISA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-27-29-19(14)20(21,22)23)12-3-5-26-18(17(12)28-16)15(25)2-4-24/h2-5,8-9,11,24H,6-7,10,25H2,1H3,(H,27,29)/b15-2-,24-4+.

What are the key properties of (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine?

(Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine has a molecular weight of 431.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-3-imino-1-[2-(3-methylmorpholin-4-yl)-4-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-1,7-naphthyridin-8-yl]prop-1-en-1-amine is sourced from PubChem (CID 134446382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).