2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

C19H19N3O2 — CID 166268035

IUPAC2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCn1nc(CNC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c1-22-18-5-3-2-4-16(18)17(21-22)11-20-15-9-12-6-7-13(19(23)24)8-14(12)10-15/h2-8,15,20H,9-11H2,1H3,(H,23,24)
InChIKeyQLCGIWAXPRIHBE-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.53
Rot. Bonds4

About 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid

2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 166268035) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID166268035
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCn1nc(CNC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21
InChIInChI=1S/C19H19N3O2/c1-22-18-5-3-2-4-16(18)17(21-22)11-20-15-9-12-6-7-13(19(23)24)8-14(12)10-15/h2-8,15,20H,9-11H2,1H3,(H,23,24)
InChIKeyQLCGIWAXPRIHBE-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[4-[[(1-Propan-2-ylindazole-3-carbonyl)amino]methyl]piperidin-1-yl]ethyl]benzoic acid
CID 68490431
Xinidamine
CID 68675
4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid
CID 138756829
Ethyl 4-(1-propan-2-ylindazol-3-yl)benzoate
CID 44451578
2-[4-[[5-(1-Phenylpropylcarbamoyl)-2-propylindazol-3-yl]methyl]phenyl]benzoic acid
CID 76310609
4-[1-[[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]amino]ethyl]Benzoic acid
CID 155538389
2-Cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyridin-3-yl)benzoic acid
CID 164617874
3-Chloro-1-[(2,6-dimethylphenyl)methyl]indazole-6-carboxylic acid
CID 68183810
1-[(2,6-Dimethylphenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 68184291
1-(2,6-dimethylbenzyl)-3-methyl-1H-indazole-6-carboxylic acid
CID 68184383
4-[1-[(2-Cyanophenyl)methyl]-4-fluoroindazol-3-yl]-3-fluorobenzoic acid
CID 73295205
US10196354, Example 1P
CID 73297167

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid (CID 166268035) is 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is Cn1nc(CNC2Cc3ccc(C(=O)O)cc3C2)c2ccccc21.
What is the InChIKey of 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is QLCGIWAXPRIHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-22-18-5-3-2-4-16(18)17(21-22)11-20-15-9-12-6-7-13(19(23)24)8-14(12)10-15/h2-8,15,20H,9-11H2,1H3,(H,23,24).
What are the key properties of 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid?
2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindazol-3-yl)methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 166268035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).