6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C24H26N4O4 — CID 59020200

IUPAC6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,14-29)15-4-6-16(7-5-15)27-13-12-19-20(22(25)30)26-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11,29H,12-14H2,1-3H3,(H2,25,30)
InChIKeyOKARASJFKYWZSK-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.45
Rot. Bonds6

About 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020200) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59020200
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,14-29)15-4-6-16(7-5-15)27-13-12-19-20(22(25)30)26-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11,29H,12-14H2,1-3H3,(H2,25,30)
InChIKeyOKARASJFKYWZSK-UHFFFAOYSA-N
XLogP2.45
TPSA110.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020200) is 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CO)cc2)CC3)cc1.
What is the InChIKey of 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is OKARASJFKYWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,14-29)15-4-6-16(7-5-15)27-13-12-19-20(22(25)30)26-28(21(19)23(27)31)17-8-10-18(32-3)11-9-17/h4-11,29H,12-14H2,1-3H3,(H2,25,30).
What are the key properties of 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).