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

C27H36N4O5 — CID 92744788

IUPACmethyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccc(OC(C)C)cc1)C2=O
InChIInChI=1S/C27H36N4O5/c1-18(2)36-21-13-11-19(12-14-21)16-30-24(32)23-15-22(25(33)35-4)29-31(23)17-27(30,3)26(34)28-20-9-7-5-6-8-10-20/h11-15,18,20H,5-10,16-17H2,1-4H3,(H,28,34)/t27-/m1/s1
InChIKeyVJDDJFGTHAWDGL-HHHXNRCGSA-N
MW496.61 g/mol
LogP3.71
Rot. Bonds7

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

methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 92744788) has the molecular formula C27H36N4O5 and a molecular weight of 496.61 g/mol. Its IUPAC name is methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID92744788
Molecular FormulaC27H36N4O5
Molecular Weight496.61 g/mol
Exact Mass496.27
IUPAC Namemethyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCOC(=O)c1cc2n(n1)C[C@](C)(C(=O)NC1CCCCCC1)N(Cc1ccc(OC(C)C)cc1)C2=O
InChIInChI=1S/C27H36N4O5/c1-18(2)36-21-13-11-19(12-14-21)16-30-24(32)23-15-22(25(33)35-4)29-31(23)17-27(30,3)26(34)28-20-9-7-5-6-8-10-20/h11-15,18,20H,5-10,16-17H2,1-4H3,(H,28,34)/t27-/m1/s1
InChIKeyVJDDJFGTHAWDGL-HHHXNRCGSA-N
XLogP3.71
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate with MolForge

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Related Compounds

methyl (6S)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744789
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
methyl 6-(cycloheptylcarbamoyl)-5-[(4-ethoxyphenyl)methyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 46279195
ethyl (6R)-5-[(4-chlorophenyl)methyl]-6-(cyclohexylcarbamoyl)-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744924
(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
N-cyclooctyl-5-[(4-fluorophenyl)methyl]-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 22522330
(6R)-5-[(4-chlorophenyl)methyl]-N-cyclohexyl-6-methyl-4-oxo-2-propan-2-yl-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738785
methyl 6-(cyclohexylcarbamoyl)-5-[4-(iodomethyl)phenyl]-6-methyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 89384201
methyl (6R)-6-(cyclohexylcarbamoyl)-6-methyl-5-[2-(4-methylsulfanylphenyl)ethyl]-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 92744658
(11S)-N-cyclohexyl-4,11-dimethyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92737698
(11S)-N-cycloheptyl-4,11-dimethyl-9-oxo-10-[(4-propan-2-yloxyphenyl)methyl]-5-oxa-1,10-diazatricyclo[6.4.0.02,6]dodeca-2(6),3,7-triene-11-carboxamide
CID 92721549
(6R)-2-tert-butyl-N-cyclohexyl-6-methyl-4-oxo-5-[(4-propoxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
CID 92738770

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 92744788) is methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-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-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-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)NC1CCCCCC1)N(Cc1ccc(OC(C)C)cc1)C2=O.
What is the InChIKey of methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is VJDDJFGTHAWDGL-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H36N4O5/c1-18(2)36-21-13-11-19(12-14-21)16-30-24(32)23-15-22(25(33)35-4)29-31(23)17-27(30,3)26(34)28-20-9-7-5-6-8-10-20/h11-15,18,20H,5-10,16-17H2,1-4H3,(H,28,34)/t27-/m1/s1.
What are the key properties of methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-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 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-(cycloheptylcarbamoyl)-6-methyl-4-oxo-5-[(4-propan-2-yloxyphenyl)methyl]-7H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 92744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).