5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid

C21H21N3O4 — CID 167828045

IUPAC5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)CCCC2CC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C21H21N3O4/c1-28-15-6-7-16-12(9-15)3-2-4-13(16)10-19(25)22-14-5-8-18-17(11-14)20(21(26)27)24-23-18/h5-9,11,13H,2-4,10H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyMWCMSFUTLHTNLJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.72
Rot. Bonds5

About 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid

5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid (PubChem CID 167828045) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
PubChem CID167828045
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
SMILESCOc1ccc2c(c1)CCCC2CC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C21H21N3O4/c1-28-15-6-7-16-12(9-15)3-2-4-13(16)10-19(25)22-14-5-8-18-17(11-14)20(21(26)27)24-23-18/h5-9,11,13H,2-4,10H2,1H3,(H,22,25)(H,23,24)(H,26,27)
InChIKeyMWCMSFUTLHTNLJ-UHFFFAOYSA-N
XLogP3.72
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid with MolForge

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Related Compounds

1-[4-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 56507403
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 97063872
N-(1-hydroxy-2-methylpropan-2-yl)-2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 110000682
1-[2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120550930
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N'-pyrimidin-2-ylacetohydrazide
CID 86839663
N-methoxy-2-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]-N-methylacetamide
CID 97314076
2-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-N-propylpropanamide
CID 47072021
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazole-3-carboxamide
CID 67230913
2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-N-(3-quinolin-8-yloxypropyl)acetamide
CID 56543430
2-(5-methoxy-2,3-dihydro-1H-indol-3-yl)-N-[3-[(E)-2-pyridin-3-ylethenyl]-1H-indazol-5-yl]acetamide
CID 70320548
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methylamino]pyridine-4-carboxylic acid
CID 77107324
1-[2-[(1R)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]-1,4-diazepan-5-one
CID 95589805

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid (CID 167828045) is 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid is COc1ccc2c(c1)CCCC2CC(=O)Nc1ccc2[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid?
The InChIKey is MWCMSFUTLHTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-28-15-6-7-16-12(9-15)3-2-4-13(16)10-19(25)22-14-5-8-18-17(11-14)20(21(26)27)24-23-18/h5-9,11,13H,2-4,10H2,1H3,(H,22,25)(H,23,24)(H,26,27).
What are the key properties of 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid?
5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid has a molecular weight of 379.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 167828045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).