N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide

C26H19N7O4 — CID 135885871

IUPACN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)nc32)cc1
InChIInChI=1S/C26H19N7O4/c1-14-7-9-16(10-8-14)32-23-18(13-27-32)24(35)30-26(29-23)33-22(11-15(2)31-33)28-25(36)21-12-19(34)17-5-3-4-6-20(17)37-21/h3-13H,1-2H3,(H,28,36)(H,29,30,35)
InChIKeyQPUXZIPRLYFTDP-UHFFFAOYSA-N
MW493.48 g/mol
LogP3.27
Rot. Bonds4

About N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide

N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide (PubChem CID 135885871) has the molecular formula C26H19N7O4 and a molecular weight of 493.48 g/mol. Its IUPAC name is N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
PubChem CID135885871
Molecular FormulaC26H19N7O4
Molecular Weight493.48 g/mol
Exact Mass493.15
IUPAC NameN-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)nc32)cc1
InChIInChI=1S/C26H19N7O4/c1-14-7-9-16(10-8-14)32-23-18(13-27-32)24(35)30-26(29-23)33-22(11-15(2)31-33)28-25(36)21-12-19(34)17-5-3-4-6-20(17)37-21/h3-13H,1-2H3,(H,28,36)(H,29,30,35)
InChIKeyQPUXZIPRLYFTDP-UHFFFAOYSA-N
XLogP3.27
TPSA140.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.48
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide (CID 135885871) is N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide is Cc1ccc(-n2ncc3c(=O)[nH]c(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)nc32)cc1.
What is the InChIKey of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
The InChIKey is QPUXZIPRLYFTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7O4/c1-14-7-9-16(10-8-14)32-23-18(13-27-32)24(35)30-26(29-23)33-22(11-15(2)31-33)28-25(36)21-12-19(34)17-5-3-4-6-20(17)37-21/h3-13H,1-2H3,(H,28,36)(H,29,30,35).
What are the key properties of N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide?
N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide has a molecular weight of 493.48 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-[1-(4-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 135885871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).