(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

C26H35N5O4 — CID 92723193

IUPAC(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C26H35N5O4/c1-4-35-22-14-10-9-11-18(22)16-27-23(32)20-15-21-24(33)30(3)26(2,17-31(21)29-20)25(34)28-19-12-7-5-6-8-13-19/h9-11,14-15,19H,4-8,12-13,16-17H2,1-3H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeyITANAPXWXFOUPJ-SANMLTNESA-N
MW481.60 g/mol
LogP2.90
Rot. Bonds7

About (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide

(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (PubChem CID 92723193) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.

Molecular Properties

Compound Name(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
PubChem CID92723193
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC Name(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
SMILESCCOc1ccccc1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O
InChIInChI=1S/C26H35N5O4/c1-4-35-22-14-10-9-11-18(22)16-27-23(32)20-15-21-24(33)30(3)26(2,17-31(21)29-20)25(34)28-19-12-7-5-6-8-13-19/h9-11,14-15,19H,4-8,12-13,16-17H2,1-3H3,(H,27,32)(H,28,34)/t26-/m0/s1
InChIKeyITANAPXWXFOUPJ-SANMLTNESA-N
XLogP2.90
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide with MolForge

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Related Compounds

(6R)-5-butyl-6-N-cyclopentyl-2-N-[(2-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744525
(6S)-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-6-N-[(4-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92744127
(6S)-2-N-[(2-bromophenyl)methyl]-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743217
2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758536
(6S)-2-N-benzyl-6-N-cyclopentyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743137
(6R)-6-N-cycloheptyl-2-N-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92723194
2-N-[(4-chlorophenyl)methyl]-6-N-cycloheptyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758464
(6R)-2-N-cycloheptyl-6-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743317
6-N-cycloheptyl-2-N-cyclohexyl-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 50758545
(6S)-6-N-cyclohexyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743451
6-N-cycloheptyl-2-N-[2-(4-ethoxyphenyl)ethyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278818
(6R)-6-N-cyclohexyl-5,6-dimethyl-2-N-[(3-methylphenyl)methyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 92743364

Frequently Asked Questions

What is the IUPAC name of (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The IUPAC name of (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide (CID 92723193) is (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide.
What is the SMILES notation for (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The canonical SMILES for (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is CCOc1ccccc1CNC(=O)c1cc2n(n1)C[C@@](C)(C(=O)NC1CCCCCC1)N(C)C2=O.
What is the InChIKey of (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
The InChIKey is ITANAPXWXFOUPJ-SANMLTNESA-N. The full InChI is InChI=1S/C26H35N5O4/c1-4-35-22-14-10-9-11-18(22)16-27-23(32)20-15-21-24(33)30(3)26(2,17-31(21)29-20)25(34)28-19-12-7-5-6-8-13-19/h9-11,14-15,19H,4-8,12-13,16-17H2,1-3H3,(H,27,32)(H,28,34)/t26-/m0/s1.
What are the key properties of (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide?
(6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide has a molecular weight of 481.60 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-N-cycloheptyl-2-N-[(2-ethoxyphenyl)methyl]-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide is sourced from PubChem (CID 92723193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).