5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid

C18H16N2O3 — CID 167888023

IUPAC5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2ccc(OCc3ccc4c(c3)CCC4)cc12
InChIInChI=1S/C18H16N2O3/c21-18(22)17-15-9-14(6-7-16(15)19-20-17)23-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10H2,(H,19,20)(H,21,22)
InChIKeyDFGKNRAQUZHJKY-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.33
Rot. Bonds4

About 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid

5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid (PubChem CID 167888023) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid
PubChem CID167888023
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2ccc(OCc3ccc4c(c3)CCC4)cc12
InChIInChI=1S/C18H16N2O3/c21-18(22)17-15-9-14(6-7-16(15)19-20-17)23-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10H2,(H,19,20)(H,21,22)
InChIKeyDFGKNRAQUZHJKY-UHFFFAOYSA-N
XLogP3.33
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl formate;1-(5-phenylmethoxy-1H-indazol-3-yl)ethanone
CID 159625660
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
CID 167800698
4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid
CID 102973562
(2S)-2-(2,3-dihydro-1H-inden-5-ylmethoxy)propanoic acid
CID 104876281
2-[2-(2,3-dihydro-1H-inden-5-ylmethoxy)phenyl]acetic acid
CID 80722668
4-chloro-1-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrazole-3-carboxylic acid
CID 19618760
5-[[2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]-1H-indazole-3-carboxylic acid
CID 167828045
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
2,3-dihydro-1H-inden-5-ylmethyl carbonochloridate
CID 83820869
4-(4-methylpiperazin-1-yl)-N-(5-phenylmethoxy-1H-indazol-3-yl)benzamide
CID 46244124
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60983438

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid (CID 167888023) is 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid is O=C(O)c1n[nH]c2ccc(OCc3ccc4c(c3)CCC4)cc12.
What is the InChIKey of 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid?
The InChIKey is DFGKNRAQUZHJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-18(22)17-15-9-14(6-7-16(15)19-20-17)23-10-11-4-5-12-2-1-3-13(12)8-11/h4-9H,1-3,10H2,(H,19,20)(H,21,22).
What are the key properties of 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid?
5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-inden-5-ylmethoxy)-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 167888023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).