6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C29H24N6O3 — CID 134305954

IUPAC6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cc(OC)n[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H24N6O3/c1-37-21-15-13-19(14-16-21)25-27(30-22-17-23(38-2)33-32-22)31-28-24(18-9-5-3-6-10-18)26(34-35(28)29(25)36)20-11-7-4-8-12-20/h3-17,34H,1-2H3,(H2,30,32,33)
InChIKeyHNAIOEFDNNVANR-UHFFFAOYSA-N
MW504.55 g/mol
LogP5.51
Rot. Bonds7

About 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134305954) has the molecular formula C29H24N6O3 and a molecular weight of 504.55 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134305954
Molecular FormulaC29H24N6O3
Molecular Weight504.55 g/mol
Exact Mass504.19
IUPAC Name6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cc(OC)n[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C29H24N6O3/c1-37-21-15-13-19(14-16-21)25-27(30-22-17-23(38-2)33-32-22)31-28-24(18-9-5-3-6-10-18)26(34-35(28)29(25)36)20-11-7-4-8-12-20/h3-17,34H,1-2H3,(H2,30,32,33)
InChIKeyHNAIOEFDNNVANR-UHFFFAOYSA-N
XLogP5.51
TPSA109.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.55
LogP ≤ 55.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134305954) is 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3cc(OC)n[nH]3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HNAIOEFDNNVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O3/c1-37-21-15-13-19(14-16-21)25-27(30-22-17-23(38-2)33-32-22)31-28-24(18-9-5-3-6-10-18)26(34-35(28)29(25)36)20-11-7-4-8-12-20/h3-17,34H,1-2H3,(H2,30,32,33).
What are the key properties of 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 504.55 g/mol, XLogP of 5.51, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134305954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).