methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

C27H36N4O5 — CID 92744720

About methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate

methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744720) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

• Compound Name: methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• PubChem CID: 92744720
• Molecular Formula: C27H36N4O5
• Molecular Weight: 496.61 g/mol
• Exact Mass: 496.27
• IUPAC Name: methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
• SMILES: COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccc(OC(C)C)cc1)C2=O
• InChI: InChI=1S/C27H36N4O5/c1-17(2)36-21-12-8-19(9-13-21)15-30-24(32)23-14-22(25(33)35-5)29-31(23)16-27(30,4)26(34)28-20-10-6-18(3)7-11-20/h8-9,12-14,17-18,20H,6-7,10-11,15-16H2,1-5H3,(H,28,34)/t18?,20?,27-/m1/s1
• InChIKey: HWLIPYOCKMXERJ-XPZJUZDRSA-N
• XLogP: 3.57
• TPSA: 102.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.61
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The IUPAC name of methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744720) is methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

What is the SMILES notation for methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The canonical SMILES for methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is COC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCC(C)CC1)N(Cc1ccc(OC(C)C)cc1)C2=O.

What is the InChIKey of methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

The InChIKey is HWLIPYOCKMXERJ-XPZJUZDRSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-17(2)36-21-12-8-19(9-13-21)15-30-24(32)23-14-22(25(33)35-5)29-31(23)16-27(30,4)26(34)28-20-10-6-18(3)7-11-20/h8-9,12-14,17-18,20H,6-7,10-11,15-16H2,1-5H3,(H,28,34)/t18?,20?,27-/m1/s1.

What are the key properties of methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?

methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 496.61 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (6R)-6-methyl-6-[(4-methylcyclohexyl)carbamoyl]-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).