(6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C28H40N4O3 — CID 92738861

About (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 92738861) has the molecular formula C28H40N4O3 and a molecular weight of 480.65 g/mol. Its IUPAC name is (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 92738861
• Molecular Formula: C28H40N4O3
• Molecular Weight: 480.65 g/mol
• Exact Mass: 480.31
• IUPAC Name: (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: CCCOc1ccc(CN2C(=O)c3cc(C(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1
• InChI: InChI=1S/C28H40N4O3/c1-5-16-35-23-14-12-21(13-15-23)18-31-26(33)25-17-24(20(2)3)30-32(25)19-28(31,4)27(34)29-22-10-8-6-7-9-11-22/h12-15,17,20,22H,5-11,16,18-19H2,1-4H3,(H,29,34)/t28-/m0/s1
• InChIKey: RJGGUHLBCHTJCZ-NDEPHWFRSA-N
• XLogP: 5.05
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.65
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 92738861) is (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is CCCOc1ccc(CN2C(=O)c3cc(C(C)C)nn3C[C@@]2(C)C(=O)NC2CCCCCC2)cc1.

What is the InChIKey of (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is RJGGUHLBCHTJCZ-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H40N4O3/c1-5-16-35-23-14-12-21(13-15-23)18-31-26(33)25-17-24(20(2)3)30-32(25)19-28(31,4)27(34)29-22-10-8-6-7-9-11-22/h12-15,17,20,22H,5-11,16,18-19H2,1-4H3,(H,29,34)/t28-/m0/s1.

What are the key properties of (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-cycloheptyl-6-methyl-4-oxo-2-propan-2-yl-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 92738861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).