1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

C18H19N5O3 — CID 174835202

IUPAC1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESCN(C)CCNC(=O)n1nc(C(=O)O)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C18H19N5O3/c1-22(2)9-8-20-18(26)23-15-6-5-12(13-4-3-7-19-11-13)10-14(15)16(21-23)17(24)25/h3-7,10-11H,8-9H2,1-2H3,(H,20,26)(H,24,25)
InChIKeySXYHCKLLGVORQB-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid

1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (PubChem CID 174835202) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
PubChem CID174835202
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
SMILESCN(C)CCNC(=O)n1nc(C(=O)O)c2cc(-c3cccnc3)ccc21
InChIInChI=1S/C18H19N5O3/c1-22(2)9-8-20-18(26)23-15-6-5-12(13-4-3-7-19-11-13)10-14(15)16(21-23)17(24)25/h3-7,10-11H,8-9H2,1-2H3,(H,20,26)(H,24,25)
InChIKeySXYHCKLLGVORQB-UHFFFAOYSA-N
XLogP1.92
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
CID 174835132
1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725752
1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725876
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
CID 126623066
5-[5-(cyclohexylcarbamoyl)-3-pyridinyl]-1-(pyridin-3-ylcarbamoyl)indazole-3-carboxylic acid
CID 174725773
1-(oxan-2-yl)-5-pyridin-3-ylindazole-3-carboxylic acid
CID 86679701
N-[2-(dimethylamino)ethyl]-1-methyl-5-phenyl-6-pyridin-3-ylimidazo[4,5-b]pyridine-2-carboxamide
CID 134805021
1-[4-(dimethylamino)cyclohexyl]-5-pyridin-3-ylindazole-3-carboxamide
CID 140689312
N,N-dimethyl-2-(6-pyridin-3-ylindol-1-yl)ethanamine
CID 15549970
N-[2-(dimethylamino)ethyl]-4-(5-methyl-2-pyridin-3-yl-4,5,6,7-tetrahydroindol-1-yl)benzamide
CID 25097528
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 166154842

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The IUPAC name of 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid (CID 174835202) is 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The canonical SMILES for 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is CN(C)CCNC(=O)n1nc(C(=O)O)c2cc(-c3cccnc3)ccc21.
What is the InChIKey of 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
The InChIKey is SXYHCKLLGVORQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-22(2)9-8-20-18(26)23-15-6-5-12(13-4-3-7-19-11-13)10-14(15)16(21-23)17(24)25/h3-7,10-11H,8-9H2,1-2H3,(H,20,26)(H,24,25).
What are the key properties of 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid?
1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid is sourced from PubChem (CID 174835202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).