3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide

C24H20ClN7O — CID 27542909

IUPAC3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H20ClN7O/c1-14-6-4-9-20(16(14)3)31-22-19(12-28-31)23(27-13-26-22)32-21(10-15(2)30-32)29-24(33)17-7-5-8-18(25)11-17/h4-13H,1-3H3,(H,29,33)
InChIKeySFTRYHNJZVRLRQ-UHFFFAOYSA-N
MW457.93 g/mol
LogP4.83
Rot. Bonds4

About 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide

3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide (PubChem CID 27542909) has the molecular formula C24H20ClN7O and a molecular weight of 457.93 g/mol. Its IUPAC name is 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
PubChem CID27542909
Molecular FormulaC24H20ClN7O
Molecular Weight457.93 g/mol
Exact Mass457.14
IUPAC Name3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1
InChIInChI=1S/C24H20ClN7O/c1-14-6-4-9-20(16(14)3)31-22-19(12-28-31)23(27-13-26-22)32-21(10-15(2)30-32)29-24(33)17-7-5-8-18(25)11-17/h4-13H,1-3H3,(H,29,33)
InChIKeySFTRYHNJZVRLRQ-UHFFFAOYSA-N
XLogP4.83
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.93
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 27542907
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 18570109
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27477328
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 27477182
2-bromo-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242026
4-methyl-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 41241902
N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]propanamide
CID 18570073
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 27487047
3-bromo-N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]benzamide
CID 136604364

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide (CID 27542909) is 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2ncnc3c2cnn3-c2cccc(C)c2C)n1.
What is the InChIKey of 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide?
The InChIKey is SFTRYHNJZVRLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN7O/c1-14-6-4-9-20(16(14)3)31-22-19(12-28-31)23(27-13-26-22)32-21(10-15(2)30-32)29-24(33)17-7-5-8-18(25)11-17/h4-13H,1-3H3,(H,29,33).
What are the key properties of 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide?
3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide has a molecular weight of 457.93 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide is sourced from PubChem (CID 27542909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).