(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C28H36FN9O — CID 145307263

About (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 145307263) has the molecular formula C28H36FN9O and a molecular weight of 533.66 g/mol. Its IUPAC name is (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

• Compound Name: (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• PubChem CID: 145307263
• Molecular Formula: C28H36FN9O
• Molecular Weight: 533.66 g/mol
• Exact Mass: 533.30
• IUPAC Name: (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
• SMILES: CC(NC(=O)[C@@H]1CCCCC1(C)C)c1ccc(-n2cc(F)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)ncn1
• InChI: InChI=1S/C19H25FN4O.C9H11N5/c1-13(23-18(25)16-6-4-5-9-19(16,2)3)14-7-8-17(21-10-14)24-12-15(20)11-22-24;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9/h7-8,10-13,16H,4-6,9H2,1-3H3,(H,23,25);3-5H,1-2H3,(H2,10,11,12,13,14)/t13?,16-;/m0./s1
• InChIKey: VEBPYRCVIIBURP-GPPWNDLUSA-N
• XLogP: 5.36
• TPSA: 126.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.66
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 145307263) is (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

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

The canonical SMILES for (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CC(NC(=O)[C@@H]1CCCCC1(C)C)c1ccc(-n2cc(F)cn2)nc1.Cc1cc(Nc2cc(C)[nH]n2)ncn1.

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

The InChIKey is VEBPYRCVIIBURP-GPPWNDLUSA-N. The full InChI is InChI=1S/C19H25FN4O.C9H11N5/c1-13(23-18(25)16-6-4-5-9-19(16,2)3)14-7-8-17(21-10-14)24-12-15(20)11-22-24;1-6-3-8(11-5-10-6)12-9-4-7(2)13-14-9/h7-8,10-13,16H,4-6,9H2,1-3H3,(H,23,25);3-5H,1-2H3,(H2,10,11,12,13,14)/t13?,16-;/m0./s1.

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

(1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 533.66 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]-2,2-dimethylcyclohexane-1-carboxamide;6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 145307263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).