N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C27H24N4O3 — CID 148979862

About N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 148979862) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• PubChem CID: 148979862
• Molecular Formula: C27H24N4O3
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.18
• IUPAC Name: N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• SMILES: COC[C@H](Cc1ccccc1)NC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1
• InChI: InChI=1S/C27H24N4O3/c1-34-17-22(13-18-7-3-2-4-8-18)28-26(32)23-15-25-27(33)29-24(16-31(25)30-23)21-12-11-19-9-5-6-10-20(19)14-21/h2-12,14-16,22H,13,17H2,1H3,(H,28,32)(H,29,33)/t22-/m0/s1
• InChIKey: PVNBULUOHMXJFL-QFIPXVFZSA-N
• XLogP: 3.83
• TPSA: 88.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The IUPAC name of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 148979862) is N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The canonical SMILES for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is COC[C@H](Cc1ccccc1)NC(=O)c1cc2c(=O)[nH]c(-c3ccc4ccccc4c3)cn2n1.

What is the InChIKey of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

The InChIKey is PVNBULUOHMXJFL-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-34-17-22(13-18-7-3-2-4-8-18)28-26(32)23-15-25-27(33)29-24(16-31(25)30-23)21-12-11-19-9-5-6-10-20(19)14-21/h2-12,14-16,22H,13,17H2,1H3,(H,28,32)(H,29,33)/t22-/m0/s1.

What are the key properties of N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?

N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 452.51 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-6-naphthalen-2-yl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 148979862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).