N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide

C37H50N8O3 — CID 162484787

About N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide

N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide (PubChem CID 162484787) has the molecular formula C37H50N8O3 and a molecular weight of 654.86 g/mol. Its IUPAC name is N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide.

Molecular Properties

• Compound Name: N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide
• PubChem CID: 162484787
• Molecular Formula: C37H50N8O3
• Molecular Weight: 654.86 g/mol
• Exact Mass: 654.40
• IUPAC Name: N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide
• SMILES: COc1ncc(-c2ccc(N(C(=O)CCC(C)(C)O)C3CCC(Cc4ncc(C(C)(C)C)c(-c5ccn(C(C)C)n5)n4)CC3)nc2)cn1
• InChI: InChI=1S/C37H50N8O3/c1-24(2)44-18-16-30(43-44)34-29(36(3,4)5)23-38-31(42-34)19-25-9-12-28(13-10-25)45(33(46)15-17-37(6,7)47)32-14-11-26(20-39-32)27-21-40-35(48-8)41-22-27/h11,14,16,18,20-25,28,47H,9-10,12-13,15,17,19H2,1-8H3
• InChIKey: QCPMGLXAVWRFCY-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 132.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.86
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide?

The IUPAC name of N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide (CID 162484787) is N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide.

What is the SMILES notation for N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide?

The canonical SMILES for N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide is COc1ncc(-c2ccc(N(C(=O)CCC(C)(C)O)C3CCC(Cc4ncc(C(C)(C)C)c(-c5ccn(C(C)C)n5)n4)CC3)nc2)cn1.

What is the InChIKey of N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide?

The InChIKey is QCPMGLXAVWRFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N8O3/c1-24(2)44-18-16-30(43-44)34-29(36(3,4)5)23-38-31(42-34)19-25-9-12-28(13-10-25)45(33(46)15-17-37(6,7)47)32-14-11-26(20-39-32)27-21-40-35(48-8)41-22-27/h11,14,16,18,20-25,28,47H,9-10,12-13,15,17,19H2,1-8H3.

What are the key properties of N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide?

N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide has a molecular weight of 654.86 g/mol, XLogP of 6.76, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[5-tert-butyl-4-(1-propan-2-ylpyrazol-3-yl)pyrimidin-2-yl]methyl]cyclohexyl]-4-hydroxy-N-[5-(2-methoxypyrimidin-5-yl)-2-pyridinyl]-4-methylpentanamide is sourced from PubChem (CID 162484787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).