1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C27H24ClN5O4 — CID 118929318

IUPAC1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4cccc(C)c4=O)cc2)CC3)cc1Cl
InChIInChI=1S/C27H24ClN5O4/c1-3-37-22-11-10-19(15-21(22)28)33-24-20(23(30-33)25(29)34)12-14-32(27(24)36)18-8-6-17(7-9-18)31-13-4-5-16(2)26(31)35/h4-11,13,15H,3,12,14H2,1-2H3,(H2,29,34)
InChIKeyMZLTYGRFEZJQLM-UHFFFAOYSA-N
MW517.97 g/mol
LogP3.69
Rot. Bonds6

About 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 118929318) has the molecular formula C27H24ClN5O4 and a molecular weight of 517.97 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID118929318
Molecular FormulaC27H24ClN5O4
Molecular Weight517.97 g/mol
Exact Mass517.15
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4cccc(C)c4=O)cc2)CC3)cc1Cl
InChIInChI=1S/C27H24ClN5O4/c1-3-37-22-11-10-19(15-21(22)28)33-24-20(23(30-33)25(29)34)12-14-32(27(24)36)18-8-6-17(7-9-18)31-13-4-5-16(2)26(31)35/h4-11,13,15H,3,12,14H2,1-2H3,(H2,29,34)
InChIKeyMZLTYGRFEZJQLM-UHFFFAOYSA-N
XLogP3.69
TPSA112.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.97
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Apixaban
CID 10182969
1-(4-methoxyphenyl)-6-[4-(N-methylacetamido)phenyl]-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 23635500
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}-N-methylacetamide
CID 23635264
1-(4-methoxyphenyl)-6-(1-{2-[(N-methylacetamido)methyl]phenyl}piperidin-4-yl)-7-oxo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 22318550
N-{4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-6-yl]phenyl}acetamide
CID 23635262
6-[4-(dimethylamino)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23635753
Hydroxy Apixaban
CID 151960382
6-(4-aminophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridin-7-one
CID 23635261
1-benzyl-N-(3-chloro-4-methoxyphenyl)-3-[3-(dimethylamino)propoxy]pyrazole-5-carboxamide
CID 44267850
Hydroxyapixaban (M7)
CID 118753696
5-(3-Chloro-2-fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575035
5-(5-Chloro-2-fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575062

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 118929318) is 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(-n4cccc(C)c4=O)cc2)CC3)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is MZLTYGRFEZJQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O4/c1-3-37-22-11-10-19(15-21(22)28)33-24-20(23(30-33)25(29)34)12-14-32(27(24)36)18-8-6-17(7-9-18)31-13-4-5-16(2)26(31)35/h4-11,13,15H,3,12,14H2,1-2H3,(H2,29,34).
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 517.97 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-6-[4-(3-methyl-2-oxo-1-pyridinyl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 118929318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).