4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide

C26H31N7O2 — CID 136603875

IUPAC4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C26H31N7O2/c1-3-4-8-18-11-13-19(14-12-18)24(34)28-22-15-17(2)31-33(22)26-29-23-21(25(35)30-26)16-27-32(23)20-9-6-5-7-10-20/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyUVYADIYKBHVVMB-UHFFFAOYSA-N
MW473.58 g/mol
LogP4.54
Rot. Bonds7

About 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide

4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide (PubChem CID 136603875) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
PubChem CID136603875
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1
InChIInChI=1S/C26H31N7O2/c1-3-4-8-18-11-13-19(14-12-18)24(34)28-22-15-17(2)31-33(22)26-29-23-21(25(35)30-26)16-27-32(23)20-9-6-5-7-10-20/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3,(H,28,34)(H,29,30,35)
InChIKeyUVYADIYKBHVVMB-UHFFFAOYSA-N
XLogP4.54
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-butyl-N-[5-methyl-2-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide
CID 136604553
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 136604195
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-phenoxyacetamide
CID 135880839
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 136603925
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630539
N-[2-[1-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630593
N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136603949
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]butanamide
CID 136604093
2-cyclohexyl-N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]acetamide
CID 136630526
2-(4-ethoxyphenyl)-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]acetamide
CID 136603930
N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 136630533
N-[2-[1-(2,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 136630567

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide (CID 136603875) is 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1.
What is the InChIKey of 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
The InChIKey is UVYADIYKBHVVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-3-4-8-18-11-13-19(14-12-18)24(34)28-22-15-17(2)31-33(22)26-29-23-21(25(35)30-26)16-27-32(23)20-9-6-5-7-10-20/h5-7,9-10,15-16,18-19H,3-4,8,11-14H2,1-2H3,(H,28,34)(H,29,30,35).
What are the key properties of 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide?
4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 136603875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).