acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide

C29H39F2N11O — CID 143752064

About acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide (PubChem CID 143752064) has the molecular formula C29H39F2N11O and a molecular weight of 595.70 g/mol. Its IUPAC name is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide.

Molecular Properties

• Compound Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide
• PubChem CID: 143752064
• Molecular Formula: C29H39F2N11O
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.33
• IUPAC Name: acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide
• SMILES: C#C.C#C.CC.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1cnccn1
• InChI: InChI=1S/C18H24F2N8.C5H5N3O.C2H6.2C2H2/c19-18(20)5-9-28(10-6-18)17-23-15(22-16(24-17)27-7-1-2-8-27)21-14-11-13(25-26-14)12-3-4-12;9-4-8-5-3-6-1-2-7-5;3*1-2/h11-12H,1-10H2,(H2,21,22,23,24,25,26);1-4H,(H,7,8,9);1-2H3;2*1-2H
• InChIKey: HLEFVKOEVJLDNL-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 140.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide?

The IUPAC name of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide (CID 143752064) is acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide.

What is the SMILES notation for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide?

The canonical SMILES for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide is C#C.C#C.CC.FC1(F)CCN(c2nc(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)n2)CC1.O=CNc1cnccn1.

What is the InChIKey of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide?

The InChIKey is HLEFVKOEVJLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N8.C5H5N3O.C2H6.2C2H2/c19-18(20)5-9-28(10-6-18)17-23-15(22-16(24-17)27-7-1-2-8-27)21-14-11-13(25-26-14)12-3-4-12;9-4-8-5-3-6-1-2-7-5;3*1-2/h11-12H,1-10H2,(H2,21,22,23,24,25,26);1-4H,(H,7,8,9);1-2H3;2*1-2H.

What are the key properties of acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide?

acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide has a molecular weight of 595.70 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-(4,4-difluoropiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine;ethane;N-pyrazin-2-ylformamide is sourced from PubChem (CID 143752064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).