N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide

C34H37F3N8O4 — CID 177014202

About N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide

N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 177014202) has the molecular formula C34H37F3N8O4 and a molecular weight of 678.72 g/mol. Its IUPAC name is N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide
• PubChem CID: 177014202
• Molecular Formula: C34H37F3N8O4
• Molecular Weight: 678.72 g/mol
• Exact Mass: 678.29
• IUPAC Name: N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide
• SMILES: C=C(CN1CCOCC1)C(=O)NCc1ccccc1.CCN1C(=O)C(NC(=O)c2ccnn2C(F)(F)F)Cc2cnn(-c3ccccc3)c21
• InChI: InChI=1S/C19H17F3N6O2.C15H20N2O2/c1-2-26-17-12(11-24-27(17)13-6-4-3-5-7-13)10-14(18(26)30)25-16(29)15-8-9-23-28(15)19(20,21)22;1-13(12-17-7-9-19-10-8-17)15(18)16-11-14-5-3-2-4-6-14/h3-9,11,14H,2,10H2,1H3,(H,25,29);2-6H,1,7-12H2,(H,16,18)
• InChIKey: XFQSYWWPXKTUOK-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 126.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	678.72
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide?

The IUPAC name of N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide (CID 177014202) is N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide.

What is the SMILES notation for N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide?

The canonical SMILES for N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide is C=C(CN1CCOCC1)C(=O)NCc1ccccc1.CCN1C(=O)C(NC(=O)c2ccnn2C(F)(F)F)Cc2cnn(-c3ccccc3)c21.

What is the InChIKey of N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide?

The InChIKey is XFQSYWWPXKTUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O2.C15H20N2O2/c1-2-26-17-12(11-24-27(17)13-6-4-3-5-7-13)10-14(18(26)30)25-16(29)15-8-9-23-28(15)19(20,21)22;1-13(12-17-7-9-19-10-8-17)15(18)16-11-14-5-3-2-4-6-14/h3-9,11,14H,2,10H2,1H3,(H,25,29);2-6H,1,7-12H2,(H,16,18).

What are the key properties of N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide?

N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 678.72 g/mol, XLogP of 3.44, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(morpholin-4-ylmethyl)prop-2-enamide;N-(7-ethyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-2-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 177014202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).