1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C25H26N4O5S — CID 44581288

IUPAC1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H26N4O5S/c1-34-19-9-7-18(8-10-19)29-22-20(21(27-29)23(26)30)11-14-28(24(22)31)17-5-3-16(4-6-17)25(12-13-25)15-35(2,32)33/h3-10H,11-15H2,1-2H3,(H2,26,30)
InChIKeyAYSPBVCSXJDUNN-UHFFFAOYSA-N
MW494.57 g/mol
LogP2.26
Rot. Bonds7

About 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 44581288) has the molecular formula C25H26N4O5S and a molecular weight of 494.57 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID44581288
Molecular FormulaC25H26N4O5S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H26N4O5S/c1-34-19-9-7-18(8-10-19)29-22-20(21(27-29)23(26)30)11-14-28(24(22)31)17-5-3-16(4-6-17)25(12-13-25)15-35(2,32)33/h3-10H,11-15H2,1-2H3,(H2,26,30)
InChIKeyAYSPBVCSXJDUNN-UHFFFAOYSA-N
XLogP2.26
TPSA124.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 44581288) is 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CS(C)(=O)=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is AYSPBVCSXJDUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5S/c1-34-19-9-7-18(8-10-19)29-22-20(21(27-29)23(26)30)11-14-28(24(22)31)17-5-3-16(4-6-17)25(12-13-25)15-35(2,32)33/h3-10H,11-15H2,1-2H3,(H2,26,30).
What are the key properties of 1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-6-[4-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 2.26, 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-[1-(methylsulfonylmethyl)cyclopropyl]phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 44581288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).