5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide

C22H15BrClN7O — CID 41241895

IUPAC5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C22H15BrClN7O/c1-13-9-19(28-22(32)16-10-14(23)7-8-18(16)24)31(29-13)21-17-11-27-30(20(17)25-12-26-21)15-5-3-2-4-6-15/h2-12H,1H3,(H,28,32)
InChIKeyKRZPWQGPAMZILZ-UHFFFAOYSA-N
MW508.77 g/mol
LogP4.98
Rot. Bonds4

About 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide

5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide (PubChem CID 41241895) has the molecular formula C22H15BrClN7O and a molecular weight of 508.77 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
PubChem CID41241895
Molecular FormulaC22H15BrClN7O
Molecular Weight508.77 g/mol
Exact Mass507.02
IUPAC Name5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
SMILESCc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C22H15BrClN7O/c1-13-9-19(28-22(32)16-10-14(23)7-8-18(16)24)31(29-13)21-17-11-27-30(20(17)25-12-26-21)15-5-3-2-4-6-15/h2-12H,1H3,(H,28,32)
InChIKeyKRZPWQGPAMZILZ-UHFFFAOYSA-N
XLogP4.98
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.77
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-5-nitrobenzamide
CID 41241905
2,5-dichloro-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242034
2-bromo-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242026
5-bromo-2-chloro-N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]benzamide
CID 136603913
4-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]butanamide
CID 41241884
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
4,5-dimethoxy-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-nitrobenzamide
CID 41241984
5-bromo-2-chloro-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 43018546
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27477328
N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 16809410
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide (CID 41241895) is 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide is Cc1cc(NC(=O)c2cc(Br)ccc2Cl)n(-c2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide?
The InChIKey is KRZPWQGPAMZILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrClN7O/c1-13-9-19(28-22(32)16-10-14(23)7-8-18(16)24)31(29-13)21-17-11-27-30(20(17)25-12-26-21)15-5-3-2-4-6-15/h2-12H,1H3,(H,28,32).
What are the key properties of 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide?
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide has a molecular weight of 508.77 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide is sourced from PubChem (CID 41241895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).