(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

C23H27N5O — CID 95188060

About (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone

(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 95188060) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• PubChem CID: 95188060
• Molecular Formula: C23H27N5O
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.22
• IUPAC Name: (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
• SMILES: Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1
• InChI: InChI=1S/C23H27N5O/c1-15(2)22-24-12-19(16(3)26-22)23(29)28-11-7-10-18(14-28)21-20(13-25-27-21)17-8-5-4-6-9-17/h4-6,8-9,12-13,15,18H,7,10-11,14H2,1-3H3,(H,25,27)/t18-/m0/s1
• InChIKey: KKBIPZFGDLBBMJ-SFHVURJKSA-N
• XLogP: 4.32
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The IUPAC name of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 95188060) is (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone.

What is the SMILES notation for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The canonical SMILES for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is Cc1nc(C(C)C)ncc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2ccccc2)C1.

What is the InChIKey of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

The InChIKey is KKBIPZFGDLBBMJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O/c1-15(2)22-24-12-19(16(3)26-22)23(29)28-11-7-10-18(14-28)21-20(13-25-27-21)17-8-5-4-6-9-17/h4-6,8-9,12-13,15,18H,7,10-11,14H2,1-3H3,(H,25,27)/t18-/m0/s1.

What are the key properties of (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone?

(4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-2-propan-2-ylpyrimidin-5-yl)-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95188060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).