N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C36H40F3N9O4 — CID 162001427

About N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 162001427) has the molecular formula C36H40F3N9O4 and a molecular weight of 719.77 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• PubChem CID: 162001427
• Molecular Formula: C36H40F3N9O4
• Molecular Weight: 719.77 g/mol
• Exact Mass: 719.32
• IUPAC Name: N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
• SMILES: C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)c2cc[nH]c2c1=O.CC(NC(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CC1
• InChI: InChI=1S/C22H23F3N6O2.C14H17N3O2/c1-3-8-31-12-16(15-4-7-26-19(15)21(31)33)20(32)29(2)14-5-9-30(10-6-14)18-11-17(22(23,24)25)27-13-28-18;1-8(9-3-4-9)16-13(18)11-7-17(2)14(19)12-10(11)5-6-15-12/h3-4,7,11-14,26H,1,5-6,8-10H2,2H3;5-9,15H,3-4H2,1-2H3,(H,16,18)
• InChIKey: YSGPCTBPDHRCDZ-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 154.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	719.77
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The IUPAC name of N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 162001427) is N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is C=CCn1cc(C(=O)N(C)C2CCN(c3cc(C(F)(F)F)ncn3)CC2)c2cc[nH]c2c1=O.CC(NC(=O)c1cn(C)c(=O)c2[nH]ccc12)C1CC1.

What is the InChIKey of N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

The InChIKey is YSGPCTBPDHRCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N6O2.C14H17N3O2/c1-3-8-31-12-16(15-4-7-26-19(15)21(31)33)20(32)29(2)14-5-9-30(10-6-14)18-11-17(22(23,24)25)27-13-28-18;1-8(9-3-4-9)16-13(18)11-7-17(2)14(19)12-10(11)5-6-15-12/h3-4,7,11-14,26H,1,5-6,8-10H2,2H3;5-9,15H,3-4H2,1-2H3,(H,16,18).

What are the key properties of N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?

N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 719.77 g/mol, XLogP of 4.46, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;N-methyl-7-oxo-6-prop-2-enyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 162001427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).