N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide

C21H20ClN7O — CID 27477182

IUPACN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN7O/c1-13-9-18(26-21(30)14-5-2-3-6-14)29(27-13)20-17-11-25-28(19(17)23-12-24-20)16-8-4-7-15(22)10-16/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)
InChIKeyMOTVLNCMTPDCAG-UHFFFAOYSA-N
MW421.89 g/mol
LogP4.09
Rot. Bonds4

About N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 27477182) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
PubChem CID27477182
Molecular FormulaC21H20ClN7O
Molecular Weight421.89 g/mol
Exact Mass421.14
IUPAC NameN-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1
InChIInChI=1S/C21H20ClN7O/c1-13-9-18(26-21(30)14-5-2-3-6-14)29(27-13)20-17-11-25-28(19(17)23-12-24-20)16-8-4-7-15(22)10-16/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30)
InChIKeyMOTVLNCMTPDCAG-UHFFFAOYSA-N
XLogP4.09
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-cyclohexylpropanamide
CID 27477199
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 44907682
1-(4-chlorophenyl)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentane-1-carboxamide
CID 44907667
(2S)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-phenylbutanamide
CID 27620587
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
(E)-N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 41242121
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
2-cyclopentyl-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]acetamide
CID 18570135
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
methyl 1-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 108773360
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide (CID 27477182) is N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide is Cc1cc(NC(=O)C2CCCC2)n(-c2ncnc3c2cnn3-c2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is MOTVLNCMTPDCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O/c1-13-9-18(26-21(30)14-5-2-3-6-14)29(27-13)20-17-11-25-28(19(17)23-12-24-20)16-8-4-7-15(22)10-16/h4,7-12,14H,2-3,5-6H2,1H3,(H,26,30).
What are the key properties of N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 421.89 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 27477182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).