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

C27H21N7O3 — CID 18570217

IUPACN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1
InChIInChI=1S/C27H21N7O3/c1-15-8-9-20(16(2)10-15)33-25-19(13-30-33)26(29-14-28-25)34-24(11-17(3)32-34)31-27(36)23-12-21(35)18-6-4-5-7-22(18)37-23/h4-14H,1-3H3,(H,31,36)
InChIKeyUUYYSHYNBGDUST-UHFFFAOYSA-N
MW491.51 g/mol
LogP4.29
Rot. Bonds4

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

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 18570217) has the molecular formula C27H21N7O3 and a molecular weight of 491.51 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
PubChem CID18570217
Molecular FormulaC27H21N7O3
Molecular Weight491.51 g/mol
Exact Mass491.17
IUPAC NameN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1
InChIInChI=1S/C27H21N7O3/c1-15-8-9-20(16(2)10-15)33-25-19(13-30-33)26(29-14-28-25)34-24(11-17(3)32-34)31-27(36)23-12-21(35)18-6-4-5-7-22(18)37-23/h4-14H,1-3H3,(H,31,36)
InChIKeyUUYYSHYNBGDUST-UHFFFAOYSA-N
XLogP4.29
TPSA120.73 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-methylsulfanylbenzamide
CID 27487080
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 27487047
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 18570214
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 136604432
2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 27477336
3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 27542909
N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenylacetamide
CID 44907616
N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 16809410
N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-1,3-benzodioxole-5-carboxamide
CID 27542907
5-bromo-2-chloro-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]benzamide
CID 41241895
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
2-bromo-N-[2-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 41242026

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide (CID 18570217) is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide is Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)ncnc32)c(C)c1.
What is the InChIKey of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is UUYYSHYNBGDUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O3/c1-15-8-9-20(16(2)10-15)33-25-19(13-30-33)26(29-14-28-25)34-24(11-17(3)32-34)31-27(36)23-12-21(35)18-6-4-5-7-22(18)37-23/h4-14H,1-3H3,(H,31,36).
What are the key properties of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide?
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 491.51 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 18570217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).