5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide

C22H21N7O4S — CID 89458344

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(S(C)(=O)=O)nc4)c3c2)c1
InChIInChI=1S/C22H21N7O4S/c1-29(2)22(31)26-16-8-14(10-23-11-16)13-4-6-18-17(9-13)20(28-27-18)21(30)25-15-5-7-19(24-12-15)34(3,32)33/h4-12H,1-3H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyXSVXJBXGFXVUSP-UHFFFAOYSA-N
MW479.52 g/mol
LogP2.77
Rot. Bonds5

About 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 89458344) has the molecular formula C22H21N7O4S and a molecular weight of 479.52 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
PubChem CID89458344
Molecular FormulaC22H21N7O4S
Molecular Weight479.52 g/mol
Exact Mass479.14
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
SMILESCN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(S(C)(=O)=O)nc4)c3c2)c1
InChIInChI=1S/C22H21N7O4S/c1-29(2)22(31)26-16-8-14(10-23-11-16)13-4-6-18-17(9-13)20(28-27-18)21(30)25-15-5-7-19(24-12-15)34(3,32)33/h4-12H,1-3H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyXSVXJBXGFXVUSP-UHFFFAOYSA-N
XLogP2.77
TPSA150.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 89459134
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(4-methylphenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458952
N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458806
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555432
N-[6-(dimethylamino)-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89450552
N-[6-(methyl-methylidene-oxo-λ6-sulfanyl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144928929
N-(6-cyano-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89450886

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 89458344) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide is CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(S(C)(=O)=O)nc4)c3c2)c1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?
The InChIKey is XSVXJBXGFXVUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O4S/c1-29(2)22(31)26-16-8-14(10-23-11-16)13-4-6-18-17(9-13)20(28-27-18)21(30)25-15-5-7-19(24-12-15)34(3,32)33/h4-12H,1-3H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 479.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).