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

C26H32FN9O — CID 142278894

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

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 142278894) has the molecular formula C26H32FN9O and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 142278894
• Molecular Formula: C26H32FN9O
• Molecular Weight: 505.60 g/mol
• Exact Mass: 505.27
• IUPAC Name: N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: CC(NC(=O)C1(C)CCCC1)c1ccc(-n2cc(F)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)ncn1
• InChI: InChI=1S/C17H21FN4O.C9H11N5/c1-12(21-16(23)17(2)7-3-4-8-17)13-5-6-15(19-9-13)22-11-14(18)10-20-22;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23);3-5H,1-2H3,(H2,10,11,12,13,14)
• InChIKey: QIODHKBFWRUSQT-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 126.30 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	505.60
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 142278894) is N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

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

The canonical SMILES for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CC(NC(=O)C1(C)CCCC1)c1ccc(-n2cc(F)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)ncn1.

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

The InChIKey is QIODHKBFWRUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O.C9H11N5/c1-12(21-16(23)17(2)7-3-4-8-17)13-5-6-15(19-9-13)22-11-14(18)10-20-22;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9/h5-6,9-12H,3-4,7-8H2,1-2H3,(H,21,23);3-5H,1-2H3,(H2,10,11,12,13,14).

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

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 505.60 g/mol, XLogP of 4.72, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-1-methylcyclopentane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 142278894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).