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

C24H27N5O3 — CID 59019709

IUPAC6-[4-(1-amino-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)CN)cc2)CC3)cc1
InChIInChI=1S/C24H27N5O3/c1-24(2,14-25)15-4-6-16(7-5-15)28-13-12-19-20(22(26)30)27-29(21(19)23(28)31)17-8-10-18(32-3)11-9-17/h4-11H,12-14,25H2,1-3H3,(H2,26,30)
InChIKeyOCSKOBUOPOHNMW-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.42
Rot. Bonds6

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

6-[4-(1-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59019709) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 6-[4-(1-amino-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-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59019709
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name6-[4-(1-amino-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)CN)cc2)CC3)cc1
InChIInChI=1S/C24H27N5O3/c1-24(2,14-25)15-4-6-16(7-5-15)28-13-12-19-20(22(26)30)27-29(21(19)23(28)31)17-8-10-18(32-3)11-9-17/h4-11H,12-14,25H2,1-3H3,(H2,26,30)
InChIKeyOCSKOBUOPOHNMW-UHFFFAOYSA-N
XLogP2.42
TPSA116.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-amino-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-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59019709) is 6-[4-(1-amino-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-amino-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-amino-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)CN)cc2)CC3)cc1.
What is the InChIKey of 6-[4-(1-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is OCSKOBUOPOHNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-24(2,14-25)15-4-6-16(7-5-15)28-13-12-19-20(22(26)30)27-29(21(19)23(28)31)17-8-10-18(32-3)11-9-17/h4-11H,12-14,25H2,1-3H3,(H2,26,30).
What are the key properties of 6-[4-(1-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
6-[4-(1-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-amino-2-methylpropan-2-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59019709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).