2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide

C22H22FN7O — CID 18570135

IUPAC2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C22H22FN7O/c1-14-10-19(27-20(31)11-15-4-2-3-5-15)30(28-14)22-18-12-26-29(21(18)24-13-25-22)17-8-6-16(23)7-9-17/h6-10,12-13,15H,2-5,11H2,1H3,(H,27,31)
InChIKeyJFLOHSTWDPIXIS-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.97
Rot. Bonds5

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

2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide (PubChem CID 18570135) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide
PubChem CID18570135
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC Name2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1
InChIInChI=1S/C22H22FN7O/c1-14-10-19(27-20(31)11-15-4-2-3-5-15)30(28-14)22-18-12-26-29(21(18)24-13-25-22)17-8-6-16(23)7-9-17/h6-10,12-13,15H,2-5,11H2,1H3,(H,27,31)
InChIKeyJFLOHSTWDPIXIS-UHFFFAOYSA-N
XLogP3.97
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570123
3-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 41242168
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 41242223
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 18570175
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-(2-methoxyphenoxy)acetamide
CID 18570173
2-chloro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 44907684
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
CID 27477199
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-9H-xanthene-9-carboxamide
CID 41242208
(2R)-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 41165407

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide (CID 18570135) is 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CC2CCCC2)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1.
What is the InChIKey of 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide?
The InChIKey is JFLOHSTWDPIXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-14-10-19(27-20(31)11-15-4-2-3-5-15)30(28-14)22-18-12-26-29(21(18)24-13-25-22)17-8-6-16(23)7-9-17/h6-10,12-13,15H,2-5,11H2,1H3,(H,27,31).
What are the key properties of 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide?
2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 18570135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).