2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid

C16H17N3O3 — CID 142372549

IUPAC2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-n2ccc(OCC3CC34CC4)n2)ccc1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-10-12(15(20)21)2-3-13(17-10)19-7-4-14(18-19)22-9-11-8-16(11)5-6-16/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyBBVGIGSBNZBNDG-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid

2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid (PubChem CID 142372549) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid
PubChem CID142372549
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(-n2ccc(OCC3CC34CC4)n2)ccc1C(=O)O
InChIInChI=1S/C16H17N3O3/c1-10-12(15(20)21)2-3-13(17-10)19-7-4-14(18-19)22-9-11-8-16(11)5-6-16/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21)
InChIKeyBBVGIGSBNZBNDG-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(spiro[2.2]pentan-2-ylmethoxy)pyrazole
CID 134606371
2-chloro-N-(1,3-dimethylpyrazol-4-yl)sulfanyl-6-[3-(spiro[2.3]hexan-6-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxamide
CID 163792791
6-[3-[[(1S,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylic acid
CID 170396215
tert-butyl 6-[3-[[(1S,4S)-1-amino-2-bicyclo[2.2.1]heptanyl]methoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate
CID 170396310
2-chloro-6-[3-[[(2S,4S)-3-fluoro-2,4-dimethyl-1-bicyclo[1.1.1]pentanyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 155187814
benzenesulfonamide;N-(benzenesulfonyl)-2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxamide;deuteride;2-methyl-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid;fluoride
CID 158695101
2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxamide;2-fluoro-6-[3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 159694950
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-chloro-6-(3-cyclopropyloxypyrazol-1-yl)pyridine-3-carboxylic acid
CID 134393633
N-(benzenesulfinyl)-2-fluoro-6-[3-[(1-methylcyclopropyl)methoxy]pyrazol-1-yl]pyridine-3-carboxamide
CID 134393628
2-[(4S)-4-ethyl-2,2,5-trimethylpiperidin-1-yl]-6-[3-[2-[1-(trifluoromethyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 134399014
2-chloro-6-[3-[2,2,3,3-tetradeuterio-3-[1-(trifluoromethyl)cyclopropyl]propoxy]pyrazol-1-yl]pyridine-3-carboxylic acid
CID 139389139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid (CID 142372549) is 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid is Cc1nc(-n2ccc(OCC3CC34CC4)n2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid?
The InChIKey is BBVGIGSBNZBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-12(15(20)21)2-3-13(17-10)19-7-4-14(18-19)22-9-11-8-16(11)5-6-16/h2-4,7,11H,5-6,8-9H2,1H3,(H,20,21).
What are the key properties of 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid?
2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-(spiro[2.2]pentan-2-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 142372549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).