5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid

C20H21N5O3 — CID 174835132

IUPAC5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)NCCN2CCCC2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H21N5O3/c26-19(27)18-16-12-14(15-4-3-7-21-13-15)5-6-17(16)25(23-18)20(28)22-8-11-24-9-1-2-10-24/h3-7,12-13H,1-2,8-11H2,(H,22,28)(H,26,27)
InChIKeyFEBWIVZVFHRWRB-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.45
Rot. Bonds5

About 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid

5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid (PubChem CID 174835132) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
PubChem CID174835132
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid
SMILESO=C(O)c1nn(C(=O)NCCN2CCCC2)c2ccc(-c3cccnc3)cc12
InChIInChI=1S/C20H21N5O3/c26-19(27)18-16-12-14(15-4-3-7-21-13-15)5-6-17(16)25(23-18)20(28)22-8-11-24-9-1-2-10-24/h3-7,12-13H,1-2,8-11H2,(H,22,28)(H,26,27)
InChIKeyFEBWIVZVFHRWRB-UHFFFAOYSA-N
XLogP2.45
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(dimethylamino)ethylcarbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174835202
1-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725876
1-[[5-(3-fluorophenyl)-3-pyridinyl]carbamoyl]-5-pyridin-3-ylindazole-3-carboxylic acid
CID 174725752
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
8-pyridin-3-yl-N-(2-pyrrolidin-1-ylethyl)-4,5-dihydro-3H-2-benzazepine-1-carboxamide
CID 123312853
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[[2-(trifluoromethyl)-4-pyridinyl]carbamoyl]indazole-3-carboxylic acid
CID 174835308
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1-[(6-pyrrolidin-1-yl-3-pyridinyl)carbamoyl]indazole-3-carboxylic acid
CID 175285285
2-(3-acetyl-5-pyridin-3-ylindazol-1-yl)acetic acid
CID 126623066
2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide
CID 144979622
4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 11361652
1,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)indazole-3-carboxamide
CID 118788228

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid?
The IUPAC name of 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid (CID 174835132) is 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid.
What is the SMILES notation for 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid?
The canonical SMILES for 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid is O=C(O)c1nn(C(=O)NCCN2CCCC2)c2ccc(-c3cccnc3)cc12.
What is the InChIKey of 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid?
The InChIKey is FEBWIVZVFHRWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c26-19(27)18-16-12-14(15-4-3-7-21-13-15)5-6-17(16)25(23-18)20(28)22-8-11-24-9-1-2-10-24/h3-7,12-13H,1-2,8-11H2,(H,22,28)(H,26,27).
What are the key properties of 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid?
5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-yl-1-(2-pyrrolidin-1-ylethylcarbamoyl)indazole-3-carboxylic acid is sourced from PubChem (CID 174835132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).