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

C26H25N7O3 — CID 135880902

IUPAC3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C26H25N7O3/c1-16-5-4-6-19(13-16)32-24-21(15-27-32)25(35)30-26(29-24)33-22(14-17(2)31-33)28-23(34)12-9-18-7-10-20(36-3)11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,28,34)(H,29,30,35)
InChIKeyBFVSTMUQDHIAAR-UHFFFAOYSA-N
MW483.53 g/mol
LogP3.49
Rot. Bonds7

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

3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide (PubChem CID 135880902) has the molecular formula C26H25N7O3 and a molecular weight of 483.53 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide
PubChem CID135880902
Molecular FormulaC26H25N7O3
Molecular Weight483.53 g/mol
Exact Mass483.20
IUPAC Name3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1
InChIInChI=1S/C26H25N7O3/c1-16-5-4-6-19(13-16)32-24-21(15-27-32)25(35)30-26(29-24)33-22(14-17(2)31-33)28-23(34)12-9-18-7-10-20(36-3)11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,28,34)(H,29,30,35)
InChIKeyBFVSTMUQDHIAAR-UHFFFAOYSA-N
XLogP3.49
TPSA119.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
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N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
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CID 66555956
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
7-(3-Acrylamido phenyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 117668361
6-(4-methoxyphenyl)-2,3-diphenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305963
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(1H-pyrazol-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307398
N-(3-methyl-1-(4-oxo-1-(m-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 135880900
ethyl 3-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-5-yl]amino]pyrazole-1-carboxylate
CID 137297511
4-methoxy-N-methyl-N-[1-[2-[(2-methylpyrazol-3-yl)amino]benzoyl]piperidin-4-yl]benzamide
CID 156010447
N-(4-Methoxyphenyl)-N~2~-[1-(2-Methylphenyl)-4-Oxo-4,5-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl]-L-Alaninamide
CID 135566753

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide (CID 135880902) is 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide is COc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc3c(cnn3-c3cccc(C)c3)c(=O)[nH]2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide?
The InChIKey is BFVSTMUQDHIAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O3/c1-16-5-4-6-19(13-16)32-24-21(15-27-32)25(35)30-26(29-24)33-22(14-17(2)31-33)28-23(34)12-9-18-7-10-20(36-3)11-8-18/h4-8,10-11,13-15H,9,12H2,1-3H3,(H,28,34)(H,29,30,35).
What are the key properties of 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide?
3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide has a molecular weight of 483.53 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrazol-3-yl]propanamide is sourced from PubChem (CID 135880902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).