4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide

C23H27N7O4S — CID 57470350

IUPAC4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide
SMILESCN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cccnc2)CC3(C)C)c(C(N)=O)c1
InChIInChI=1S/C23H27N7O4S/c1-23(2)13-30(35(33,34)15-6-5-9-25-11-15)12-18-19(23)27-28-21(18)26-22(32)16-8-7-14(29(3)4)10-17(16)20(24)31/h5-11H,12-13H2,1-4H3,(H2,24,31)(H2,26,27,28,32)
InChIKeyRRIUFZMKCJMEGH-UHFFFAOYSA-N
MW497.58 g/mol
LogP1.70
Rot. Bonds6

About 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide

4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide (PubChem CID 57470350) has the molecular formula C23H27N7O4S and a molecular weight of 497.58 g/mol. Its IUPAC name is 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide
PubChem CID57470350
Molecular FormulaC23H27N7O4S
Molecular Weight497.58 g/mol
Exact Mass497.18
IUPAC Name4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide
SMILESCN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cccnc2)CC3(C)C)c(C(N)=O)c1
InChIInChI=1S/C23H27N7O4S/c1-23(2)13-30(35(33,34)15-6-5-9-25-11-15)12-18-19(23)27-28-21(18)26-22(32)16-8-7-14(29(3)4)10-17(16)20(24)31/h5-11H,12-13H2,1-4H3,(H2,24,31)(H2,26,27,28,32)
InChIKeyRRIUFZMKCJMEGH-UHFFFAOYSA-N
XLogP1.70
TPSA154.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.58
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(dimethylamino)phenyl]-1-methylpyrrolidine-2-carboxamide
CID 67203243
1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-(4-ethylpiperazin-1-yl)benzene-1,2-dicarboxamide
CID 67493516
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]benzamide
CID 67493702
1-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-morpholin-4-ylbenzene-1,2-dicarboxamide
CID 67493787
2-N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-fluorobenzene-1,2-dicarboxamide
CID 67493600
N-[2-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-5-(4-methylpiperazin-1-yl)phenyl]pyridine-3-carboxamide
CID 67202632
(2R)-1-[4-carbamoyl-5-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-2-(dimethylamino)phenyl]pyrrolidine-2-carboxylic acid
CID 67201295
(2S)-1-[4-carbamoyl-5-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-2-(dimethylamino)phenyl]pyrrolidine-2-carboxylic acid
CID 67202474
2-amino-N-[5-(3,5-difluorophenyl)sulfinyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-4-(dimethylamino)benzamide
CID 149231698
1-[4-carbamoyl-5-[[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]carbamoyl]-2-morpholin-4-ylphenyl]pyrrole-3-carboxylic acid
CID 67201332
2-amino-N-[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-4-(dimethylamino)benzamide
CID 67493798
N-[5-(3,5-difluorophenyl)sulfonyl-7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl]-3-[[(2R)-oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 67201278

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide?
The IUPAC name of 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide (CID 57470350) is 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide.
What is the SMILES notation for 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide?
The canonical SMILES for 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide is CN(C)c1ccc(C(=O)Nc2n[nH]c3c2CN(S(=O)(=O)c2cccnc2)CC3(C)C)c(C(N)=O)c1.
What is the InChIKey of 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide?
The InChIKey is RRIUFZMKCJMEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O4S/c1-23(2)13-30(35(33,34)15-6-5-9-25-11-15)12-18-19(23)27-28-21(18)26-22(32)16-8-7-14(29(3)4)10-17(16)20(24)31/h5-11H,12-13H2,1-4H3,(H2,24,31)(H2,26,27,28,32).
What are the key properties of 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide?
4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide has a molecular weight of 497.58 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-1-N-(7,7-dimethyl-5-pyridin-3-ylsulfonyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-3-yl)benzene-1,2-dicarboxamide is sourced from PubChem (CID 57470350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).