6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one

C56H44N12O4 — CID 162184120

IUPAC6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Cn3cnnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.COc1ccc(C2=C(Cn3ncnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/2C28H22N6O2/c1-36-23-14-12-20(13-15-23)25-22(17-33-18-29-31-32-33)16-24-26(19-8-4-2-5-9-19)27(30-34(24)28(25)35)21-10-6-3-7-11-21;1-36-23-14-12-20(13-15-23)25-22(17-33-30-18-29-32-33)16-24-26(19-8-4-2-5-9-19)27(31-34(24)28(25)35)21-10-6-3-7-11-21/h2*2-15,18H,16-17H2,1H3
InChIKeyZPKWWCVLJCXXBX-UHFFFAOYSA-N
MW949.05 g/mol
LogP9.12
Rot. Bonds12

About 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one

6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one (PubChem CID 162184120) has the molecular formula C56H44N12O4 and a molecular weight of 949.05 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one
PubChem CID162184120
Molecular FormulaC56H44N12O4
Molecular Weight949.05 g/mol
Exact Mass948.36
IUPAC Name6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one
SMILESCOc1ccc(C2=C(Cn3cnnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.COc1ccc(C2=C(Cn3ncnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1
InChIInChI=1S/2C28H22N6O2/c1-36-23-14-12-20(13-15-23)25-22(17-33-18-29-31-32-33)16-24-26(19-8-4-2-5-9-19)27(30-34(24)28(25)35)21-10-6-3-7-11-21;1-36-23-14-12-20(13-15-23)25-22(17-33-30-18-29-32-33)16-24-26(19-8-4-2-5-9-19)27(31-34(24)28(25)35)21-10-6-3-7-11-21/h2*2-15,18H,16-17H2,1H3
InChIKeyZPKWWCVLJCXXBX-UHFFFAOYSA-N
XLogP9.12
TPSA175.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500949.05
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one with MolForge

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Related Compounds

5-anilino-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158089665
2-[[6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]amino]pyrimidine-5-carbonitrile
CID 147415499
6-(4-methoxyphenyl)-2,3-diphenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 160941952
3-(3,6-dihydro-2H-pyran-4-yl)-6-(4-methoxyphenyl)-5-methyl-2-phenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147516700
N-[6-(4-hydroxyphenyl)-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-5-yl]acetamide
CID 157217607
3-(cyclohexen-1-yl)-6-(4-methoxyphenyl)-2-phenyl-5-[[1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]amino]-4H-pyrazolo[1,5-a]pyridin-7-one
CID 152925158
3-[[4-[[5-ethyl-3-(4-methoxyphenyl)-4-phenylpyrazol-1-yl]methyl]cyclohexyl]methoxy]propanoic acid
CID 163624961
methyl 2-[6-(5-methyl-7-oxo-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-6-yl)-1,3-benzothiazol-2-yl]acetate
CID 149298104
2-(6-methoxy-3-pyridinyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158391528
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
6-[3-(3-chloro-2-oxopropyl)-4-hydroxyphenyl]-5-methyl-2,3-diphenyl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 158304173
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one?
The IUPAC name of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one (CID 162184120) is 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one is COc1ccc(C2=C(Cn3cnnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.COc1ccc(C2=C(Cn3ncnn3)Cc3c(-c4ccccc4)c(-c4ccccc4)nn3C2=O)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one?
The InChIKey is ZPKWWCVLJCXXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H22N6O2/c1-36-23-14-12-20(13-15-23)25-22(17-33-18-29-31-32-33)16-24-26(19-8-4-2-5-9-19)27(30-34(24)28(25)35)21-10-6-3-7-11-21;1-36-23-14-12-20(13-15-23)25-22(17-33-30-18-29-32-33)16-24-26(19-8-4-2-5-9-19)27(31-34(24)28(25)35)21-10-6-3-7-11-21/h2*2-15,18H,16-17H2,1H3.
What are the key properties of 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one?
6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one has a molecular weight of 949.05 g/mol, XLogP of 9.12, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-1-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one;6-(4-methoxyphenyl)-2,3-diphenyl-5-(tetrazol-2-ylmethyl)-4H-pyrazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 162184120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).