6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C27H21N7O2 — CID 134306322

IUPAC6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cn[nH]n3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C27H21N7O2/c1-36-20-14-12-18(13-15-20)23-25(29-21-16-28-33-31-21)30-26-22(17-8-4-2-5-9-17)24(32-34(26)27(23)35)19-10-6-3-7-11-19/h2-16,32H,1H3,(H2,28,29,31,33)
InChIKeyZJFCHEPNDDYRAK-UHFFFAOYSA-N
MW475.51 g/mol
LogP4.89
Rot. Bonds6

About 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134306322) has the molecular formula C27H21N7O2 and a molecular weight of 475.51 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134306322
Molecular FormulaC27H21N7O2
Molecular Weight475.51 g/mol
Exact Mass475.18
IUPAC Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(Nc3cn[nH]n3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1
InChIInChI=1S/C27H21N7O2/c1-36-20-14-12-18(13-15-20)23-25(29-21-16-28-33-31-21)30-26-22(17-8-4-2-5-9-17)24(32-34(26)27(23)35)19-10-6-3-7-11-19/h2-16,32H,1H3,(H2,28,29,31,33)
InChIKeyZJFCHEPNDDYRAK-UHFFFAOYSA-N
XLogP4.89
TPSA112.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(pyrazin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307517
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyrazin-2-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305907
5-(1H-imidazol-2-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305909
6-(4-methoxyphenyl)-2,3-diphenyl-5-(1,2,4-triazin-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305918
5-(1H-imidazol-5-ylamino)-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305926
5-[(5-amino-1H-pyrazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305929
6-(4-methoxyphenyl)-5-[(3-methoxy-1H-pyrazol-5-yl)amino]-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134305954
6-(4-methoxyphenyl)-2,3-diphenyl-5-(pyridazin-3-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134306078
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-(1,2,4-triazin-5-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307304
5-[(4-amino-1,2,5-oxadiazol-3-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 134307428

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 134306322) is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(Nc3cn[nH]n3)nc3c(-c4ccccc4)c(-c4ccccc4)[nH]n3c2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZJFCHEPNDDYRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7O2/c1-36-20-14-12-18(13-15-20)23-25(29-21-16-28-33-31-21)30-26-22(17-8-4-2-5-9-17)24(32-34(26)27(23)35)19-10-6-3-7-11-19/h2-16,32H,1H3,(H2,28,29,31,33).
What are the key properties of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 475.51 g/mol, XLogP of 4.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(2H-triazol-4-ylamino)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134306322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).