2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile

C31H22N6O2 — CID 147415499

IUPAC2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C2=C(Nc3ncc(C#N)cn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C31H22N6O2/c1-39-24-14-12-22(13-15-24)27-25(35-31-33-18-20(17-32)19-34-31)16-26-28(21-8-4-2-5-9-21)29(36-37(26)30(27)38)23-10-6-3-7-11-23/h2-15,18-19H,16H2,1H3,(H,33,34,35)
InChIKeyDRLIRXFVUCPQDH-UHFFFAOYSA-N
MW510.56 g/mol
LogP5.61
Rot. Bonds6

About 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile

2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile (PubChem CID 147415499) has the molecular formula C31H22N6O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile
PubChem CID147415499
Molecular FormulaC31H22N6O2
Molecular Weight510.56 g/mol
Exact Mass510.18
IUPAC Name2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile
SMILESCOc1ccc(C2=C(Nc3ncc(C#N)cn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/C31H22N6O2/c1-39-24-14-12-22(13-15-24)27-25(35-31-33-18-20(17-32)19-34-31)16-26-28(21-8-4-2-5-9-21)29(36-37(26)30(27)38)23-10-6-3-7-11-23/h2-15,18-19H,16H2,1H3,(H,33,34,35)
InChIKeyDRLIRXFVUCPQDH-UHFFFAOYSA-N
XLogP5.61
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile with MolForge

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307447
N-{1-({2-[(4-methoxyphenyl)methylene]hydrazino}carbonyl)-2-[(4-methyl-2-pyrimidinyl)amino]vinyl}benzenecarboxamide
CID 9582023
[1-Benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 16298601
2-(4-methoxyphenyl)-N-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)acetamide
CID 132576031
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-5-[(2-methoxypyrimidin-4-yl)amino]-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307172
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrimidin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307281
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrimidin-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307342
5-[(5-chloropyrimidin-2-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307696
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyrimidin-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308023
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrimidin-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134308086
5-[(4-amino-1,3,5-triazin-2-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297203

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile (CID 147415499) is 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile is COc1ccc(C2=C(Nc3ncc(C#N)cn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile?
The InChIKey is DRLIRXFVUCPQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O2/c1-39-24-14-12-22(13-15-24)27-25(35-31-33-18-20(17-32)19-34-31)16-26-28(21-8-4-2-5-9-21)29(36-37(26)30(27)38)23-10-6-3-7-11-23/h2-15,18-19H,16H2,1H3,(H,33,34,35).
What are the key properties of 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile?
2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile has a molecular weight of 510.56 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 147415499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).