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

C24H23N5O4S — CID 131985988

IUPAC1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccccc2N2CCSCC2=O)CC3)cc1
InChIInChI=1S/C24H23N5O4S/c1-33-16-8-6-15(7-9-16)29-22-17(21(26-29)23(25)31)10-11-28(24(22)32)19-5-3-2-4-18(19)27-12-13-34-14-20(27)30/h2-9H,10-14H2,1H3,(H2,25,31)
InChIKeyIORWHPOLRBCZPN-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.26
Rot. Bonds5

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

1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 131985988) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
PubChem CID131985988
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccccc2N2CCSCC2=O)CC3)cc1
InChIInChI=1S/C24H23N5O4S/c1-33-16-8-6-15(7-9-16)29-22-17(21(26-29)23(25)31)10-11-28(24(22)32)19-5-3-2-4-18(19)27-12-13-34-14-20(27)30/h2-9H,10-14H2,1H3,(H2,25,31)
InChIKeyIORWHPOLRBCZPN-UHFFFAOYSA-N
XLogP2.26
TPSA110.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N-hydroxyanilino]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 126495801
1-(4-methoxyphenyl)-6-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086878
6-[4-(3,3,4,4,5,5-hexadeuterio-2-oxopiperidin-1-yl)phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 89059700
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide;1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 158695238
6-[4-[2-[(dimethylamino)methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 10117541
1-(4-methoxyphenyl)-7-oxo-6-[4-(1-pyrrolidin-1-ylcyclopropyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 59020077
6-[4-[1-(2-amino-2-oxoethyl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 44581328
N,N-dideuterio-1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 25208012
1-(2-methoxyphenyl)-7-oxo-6-[4-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 118086891
6-[4-[2-[[bis(2-hydroxyethyl)amino]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
CID 20872059
4-[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]anilino]butanoic acid
CID 163203151
3-acetyl-1-(4-methoxyphenyl)-6-[4-(2-oxo-1-pyridinyl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 10161317

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 131985988) is 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccccc2N2CCSCC2=O)CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
The InChIKey is IORWHPOLRBCZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-33-16-8-6-15(7-9-16)29-22-17(21(26-29)23(25)31)10-11-28(24(22)32)19-5-3-2-4-18(19)27-12-13-34-14-20(27)30/h2-9H,10-14H2,1H3,(H2,25,31).
What are the key properties of 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?
1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 477.55 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-7-oxo-6-[2-(3-oxothiomorpholin-4-yl)phenyl]-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 131985988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).