7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C16H17N3O3 — CID 136549603

IUPAC7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3/c20-15(6-9-1-2-10-8-17-18-13(10)5-9)19-11-3-4-14(19)12(7-11)16(21)22/h1-2,5,8,11-12,14H,3-4,6-7H2,(H,17,18)(H,21,22)
InChIKeyLUSWNRYPRXSMRS-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.57
Rot. Bonds3

About 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 136549603) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID136549603
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2C(=O)Cc1ccc2cn[nH]c2c1
InChIInChI=1S/C16H17N3O3/c20-15(6-9-1-2-10-8-17-18-13(10)5-9)19-11-3-4-14(19)12(7-11)16(21)22/h1-2,5,8,11-12,14H,3-4,6-7H2,(H,17,18)(H,21,22)
InChIKeyLUSWNRYPRXSMRS-UHFFFAOYSA-N
XLogP1.57
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1H-imidazol-5-yl)piperidin-1-yl]-2-(1H-indazol-6-yl)ethanone
CID 166204958
7-(1-methylpyrazole-3-carbonyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 103116926
7-(2-indazol-2-ylacetyl)-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 136549609
1-[2-(1H-indazol-6-yl)acetyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 136535434
(2S)-2-amino-3-(1H-indazol-6-yl)propanoic acid
CID 96765286
N-(1H-indazol-6-ylmethyl)-2-phenylacetamide
CID 110472122
2-(1H-indazol-5-yl)acetic acid
CID 39103838
N-[2-(1H-indazol-6-yl)ethyl]cyclopentanecarboxamide
CID 155945475
7-[2-(triazol-1-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 115348216
1H-indazol-6-ylmethyl (3R)-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 96524544
N-[1-(1H-indazol-6-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 136519416
4-[2-(1H-indazol-5-yl)acetyl]-1,3-dimethylpiperazin-2-one
CID 139007551

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 136549603) is 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2C(=O)Cc1ccc2cn[nH]c2c1.
What is the InChIKey of 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is LUSWNRYPRXSMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(6-9-1-2-10-8-17-18-13(10)5-9)19-11-3-4-14(19)12(7-11)16(21)22/h1-2,5,8,11-12,14H,3-4,6-7H2,(H,17,18)(H,21,22).
What are the key properties of 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1H-indazol-6-yl)acetyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 136549603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).