N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H28N6O3 — CID 136891499

About N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 136891499) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 136891499
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1
• InChI: InChI=1S/C23H28N6O3/c1-16(2)29-15-18(14-24-29)22(31)26-20(17-6-4-3-5-7-17)12-19-13-21(30)27-23(25-19)28-8-10-32-11-9-28/h3-7,13-16,20H,8-12H2,1-2H3,(H,26,31)(H,25,27,30)/t20-/m0/s1
• InChIKey: KXYCYCRRAMCWCX-FQEVSTJZSA-N
• XLogP: 2.10
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 136891499) is N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)N[C@@H](Cc2cc(=O)[nH]c(N3CCOCC3)n2)c2ccccc2)cn1.

What is the InChIKey of N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is KXYCYCRRAMCWCX-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(2)29-15-18(14-24-29)22(31)26-20(17-6-4-3-5-7-17)12-19-13-21(30)27-23(25-19)28-8-10-32-11-9-28/h3-7,13-16,20H,8-12H2,1-2H3,(H,26,31)(H,25,27,30)/t20-/m0/s1.

What are the key properties of N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide?

N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-(2-morpholin-4-yl-6-oxo-1H-pyrimidin-4-yl)-1-phenylethyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 136891499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).