5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide

C21H20N8O2 — CID 89459134

IUPAC5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1
InChIInChI=1S/C21H20N8O2/c1-12-23-10-16(11-24-12)25-20(30)19-17-7-13(4-5-18(17)27-28-19)14-6-15(9-22-8-14)26-21(31)29(2)3/h4-11H,1-3H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyVAILTCDUBGYSLS-UHFFFAOYSA-N
MW416.45 g/mol
LogP3.07
Rot. Bonds4

About 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide

5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (PubChem CID 89459134) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
PubChem CID89459134
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1
InChIInChI=1S/C21H20N8O2/c1-12-23-10-16(11-24-12)25-20(30)19-17-7-13(4-5-18(17)27-28-19)14-6-15(9-22-8-14)26-21(31)29(2)3/h4-11H,1-3H3,(H,25,30)(H,26,31)(H,27,28)
InChIKeyVAILTCDUBGYSLS-UHFFFAOYSA-N
XLogP3.07
TPSA128.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[2-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrimidin-5-yl]-1H-indazole-3-carboxamide
CID 159975834
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(6-methylsulfonyl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 89458344
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(4-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
CID 118390947
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-[6-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89451293
N-[2-(3,3-difluoroazetidin-1-yl)-4-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118382347
5-(5-decyl-3-pyridinyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 144929327
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)-1H-indazole-3-carboxamide
CID 118382368
N-[5-(3-methylphenyl)-3-pyridinyl]-5-pyridin-3-yl-1H-indazole-3-carboxamide
CID 123214472
5-(2,3-difluorophenyl)-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 118382000
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[methyl(propyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
CID 144555432

Frequently Asked Questions

What is the IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide (CID 89459134) is 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1.
What is the InChIKey of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is VAILTCDUBGYSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-12-23-10-16(11-24-12)25-20(30)19-17-7-13(4-5-18(17)27-28-19)14-6-15(9-22-8-14)26-21(31)29(2)3/h4-11H,1-3H3,(H,25,30)(H,26,31)(H,27,28).
What are the key properties of 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide?
5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 89459134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).