2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide

C23H24FN7O2 — CID 136630541

IUPAC2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1
InChIInChI=1S/C23H24FN7O2/c1-14-11-19(26-20(32)12-15-7-3-2-4-8-15)31(29-14)23-27-21-16(22(33)28-23)13-25-30(21)18-10-6-5-9-17(18)24/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,26,32)(H,27,28,33)
InChIKeyHGQFYHFZMZNRNG-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.65
Rot. Bonds5

About 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide

2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 136630541) has the molecular formula C23H24FN7O2 and a molecular weight of 449.49 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide
PubChem CID136630541
Molecular FormulaC23H24FN7O2
Molecular Weight449.49 g/mol
Exact Mass449.20
IUPAC Name2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1
InChIInChI=1S/C23H24FN7O2/c1-14-11-19(26-20(32)12-15-7-3-2-4-8-15)31(29-14)23-27-21-16(22(33)28-23)13-25-30(21)18-10-6-5-9-17(18)24/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,26,32)(H,27,28,33)
InChIKeyHGQFYHFZMZNRNG-UHFFFAOYSA-N
XLogP3.65
TPSA110.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630539
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-chloro-6-fluoro-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136630562
N-[2-[1-(2-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 136630593
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 136630558
N-[2-[1-(2,4-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 136630567
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]naphthalene-1-carboxamide
CID 136604384
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]butanamide
CID 136604093
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]-2-phenoxyacetamide
CID 135880839
N-[2-[1-(4-chlorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-3,3-dimethylbutanamide
CID 136604098
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-(4-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]naphthalene-2-carboxamide
CID 136604276

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide (CID 136630541) is 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(cnn3-c3ccccc3F)c(=O)[nH]2)n1.
What is the InChIKey of 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is HGQFYHFZMZNRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O2/c1-14-11-19(26-20(32)12-15-7-3-2-4-8-15)31(29-14)23-27-21-16(22(33)28-23)13-25-30(21)18-10-6-5-9-17(18)24/h5-6,9-11,13,15H,2-4,7-8,12H2,1H3,(H,26,32)(H,27,28,33).
What are the key properties of 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide?
2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 449.49 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 136630541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).