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

C27H27N7O2 — CID 27487047

IUPACN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4ccc(OC(C)C)cc4)ncnc32)c(C)c1
InChIInChI=1S/C27H27N7O2/c1-16(2)36-21-9-7-20(8-10-21)27(35)31-24-13-19(5)32-34(24)26-22-14-30-33(25(22)28-15-29-26)23-11-6-17(3)12-18(23)4/h6-16H,1-5H3,(H,31,35)
InChIKeyQLEXEWXGATXNQB-UHFFFAOYSA-N
MW481.56 g/mol
LogP4.97
Rot. Bonds6

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

N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide (PubChem CID 27487047) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
PubChem CID27487047
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC NameN-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
SMILESCc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4ccc(OC(C)C)cc4)ncnc32)c(C)c1
InChIInChI=1S/C27H27N7O2/c1-16(2)36-21-9-7-20(8-10-21)27(35)31-24-13-19(5)32-34(24)26-22-14-30-33(25(22)28-15-29-26)23-11-6-17(3)12-18(23)4/h6-16H,1-5H3,(H,31,35)
InChIKeyQLEXEWXGATXNQB-UHFFFAOYSA-N
XLogP4.97
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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-oxochromene-2-carboxamide
CID 18570217
4-fluoro-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 16801770
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-2-thiophen-2-ylacetamide
CID 18570214
4-butoxy-N-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 18570155
(2S)-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-2-phenoxypropanamide
CID 41165397
3-chloro-N-[2-[1-(2,3-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]benzamide
CID 27542909
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-(2,5-dimethylpyrazol-3-yl)-4-propan-2-yloxybenzamide
CID 45284563
N-[2-[1-(2-fluorophenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide
CID 136630558
4-methyl-N-[5-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 41241902
N-[2-[1-(3,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 44907813

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-propan-2-yloxybenzamide?
The IUPAC name of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide (CID 27487047) is N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide is Cc1ccc(-n2ncc3c(-n4nc(C)cc4NC(=O)c4ccc(OC(C)C)cc4)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-propan-2-yloxybenzamide?
The InChIKey is QLEXEWXGATXNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-16(2)36-21-9-7-20(8-10-21)27(35)31-24-13-19(5)32-34(24)26-22-14-30-33(25(22)28-15-29-26)23-11-6-17(3)12-18(23)4/h6-16H,1-5H3,(H,31,35).
What are the key properties of N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide?
N-[2-[1-(2,4-dimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]-4-propan-2-yloxybenzamide has a molecular weight of 481.56 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 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-propan-2-yloxybenzamide is sourced from PubChem (CID 27487047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).