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

C28H33N5O4 — CID 59020139

IUPAC1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1
InChIInChI=1S/C28H33N5O4/c1-28(2,18-31-14-16-37-17-15-31)19-4-6-20(7-5-19)32-13-12-23-24(26(29)34)30-33(25(23)27(32)35)21-8-10-22(36-3)11-9-21/h4-11H,12-18H2,1-3H3,(H2,29,34)
InChIKeyQHWIUDMDUCPZKR-UHFFFAOYSA-N
MW503.60 g/mol
LogP2.79
Rot. Bonds7

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

1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020139) has the molecular formula C28H33N5O4 and a molecular weight of 503.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID59020139
Molecular FormulaC28H33N5O4
Molecular Weight503.60 g/mol
Exact Mass503.25
IUPAC Name1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1
InChIInChI=1S/C28H33N5O4/c1-28(2,18-31-14-16-37-17-15-31)19-4-6-20(7-5-19)32-13-12-23-24(26(29)34)30-33(25(23)27(32)35)21-8-10-22(36-3)11-9-21/h4-11H,12-18H2,1-3H3,(H2,29,34)
InChIKeyQHWIUDMDUCPZKR-UHFFFAOYSA-N
XLogP2.79
TPSA102.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.60
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020139) is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCOCC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is QHWIUDMDUCPZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O4/c1-28(2,18-31-14-16-37-17-15-31)19-4-6-20(7-5-19)32-13-12-23-24(26(29)34)30-33(25(23)27(32)35)21-8-10-22(36-3)11-9-21/h4-11H,12-18H2,1-3H3,(H2,29,34).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-morpholin-4-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).