N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

C27H34FN9O2 — CID 145307245

About N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (PubChem CID 145307245) has the molecular formula C27H34FN9O2 and a molecular weight of 535.63 g/mol. Its IUPAC name is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
• PubChem CID: 145307245
• Molecular Formula: C27H34FN9O2
• Molecular Weight: 535.63 g/mol
• Exact Mass: 535.28
• IUPAC Name: N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine
• SMILES: CC(NC=O)c1ccc(-n2cc(F)cn2)nc1.COC1CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1
• InChI: InChI=1S/C16H23N5O.C11H11FN4O/c1-10-8-14(12-4-6-13(22-3)7-5-12)18-16(17-10)19-15-9-11(2)20-21-15;1-8(14-7-17)9-2-3-11(13-4-9)16-6-10(12)5-15-16/h8-9,12-13H,4-7H2,1-3H3,(H2,17,18,19,20,21);2-8H,1H3,(H,14,17)
• InChIKey: ZDEPYBIIHDDKCU-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 135.53 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.63
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The IUPAC name of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine (CID 145307245) is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The canonical SMILES for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is CC(NC=O)c1ccc(-n2cc(F)cn2)nc1.COC1CCC(c2cc(C)nc(Nc3cc(C)[nH]n3)n2)CC1.

What is the InChIKey of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

The InChIKey is ZDEPYBIIHDDKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O.C11H11FN4O/c1-10-8-14(12-4-6-13(22-3)7-5-12)18-16(17-10)19-15-9-11(2)20-21-15;1-8(14-7-17)9-2-3-11(13-4-9)16-6-10(12)5-15-16/h8-9,12-13H,4-7H2,1-3H3,(H2,17,18,19,20,21);2-8H,1H3,(H,14,17).

What are the key properties of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine?

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 535.63 g/mol, XLogP of 4.45, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide;4-(4-methoxycyclohexyl)-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 145307245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).