acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide

C25H33F2N9O — CID 143606497

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide (PubChem CID 143606497) has the molecular formula C25H33F2N9O and a molecular weight of 513.60 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide
• PubChem CID: 143606497
• Molecular Formula: C25H33F2N9O
• Molecular Weight: 513.60 g/mol
• Exact Mass: 513.28
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide
• SMILES: C#C.CN1CCC[C@@H](NC=O)C1.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1
• InChI: InChI=1S/C16H17F2N7.C7H14N2O.C2H2/c17-16(18)5-7-24(9-16)15-20-14(12-2-1-6-25(12)23-15)19-13-8-11(21-22-13)10-3-4-10;1-9-4-2-3-7(5-9)8-6-10;1-2/h1-2,6,8,10H,3-5,7,9H2,(H2,19,20,21,22,23);6-7H,2-5H2,1H3,(H,8,10);1-2H/t;7-;/m.1./s1
• InChIKey: SWYGBZTYGCIMOZ-QABCSGHHSA-N
• XLogP: 2.99
• TPSA: 106.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.60
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide (CID 143606497) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide is C#C.CN1CCC[C@@H](NC=O)C1.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)C1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide?

The InChIKey is SWYGBZTYGCIMOZ-QABCSGHHSA-N. The full InChI is InChI=1S/C16H17F2N7.C7H14N2O.C2H2/c17-16(18)5-7-24(9-16)15-20-14(12-2-1-6-25(12)23-15)19-13-8-11(21-22-13)10-3-4-10;1-9-4-2-3-7(5-9)8-6-10;1-2/h1-2,6,8,10H,3-5,7,9H2,(H2,19,20,21,22,23);6-7H,2-5H2,1H3,(H,8,10);1-2H/t;7-;/m.1./s1.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide has a molecular weight of 513.60 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(3,3-difluoropyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;N-[(3R)-1-methylpiperidin-3-yl]formamide is sourced from PubChem (CID 143606497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).