(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

C12H15F2N3O4 — CID 155343946

IUPAC(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCCOC(=O)C(F)(F)c1n[nH]c2c1CN(C(=O)O)[C@H](C)C2
InChIInChI=1S/C12H15F2N3O4/c1-3-21-10(18)12(13,14)9-7-5-17(11(19)20)6(2)4-8(7)15-16-9/h6H,3-5H2,1-2H3,(H,15,16)(H,19,20)/t6-/m1/s1
InChIKeyVIZLHNRLBUSFJB-ZCFIWIBFSA-N
MW303.27 g/mol
LogP1.49
Rot. Bonds3

About (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid

(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (PubChem CID 155343946) has the molecular formula C12H15F2N3O4 and a molecular weight of 303.27 g/mol. Its IUPAC name is (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
PubChem CID155343946
Molecular FormulaC12H15F2N3O4
Molecular Weight303.27 g/mol
Exact Mass303.10
IUPAC Name(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
SMILESCCOC(=O)C(F)(F)c1n[nH]c2c1CN(C(=O)O)[C@H](C)C2
InChIInChI=1S/C12H15F2N3O4/c1-3-21-10(18)12(13,14)9-7-5-17(11(19)20)6(2)4-8(7)15-16-9/h6H,3-5H2,1-2H3,(H,15,16)(H,19,20)/t6-/m1/s1
InChIKeyVIZLHNRLBUSFJB-ZCFIWIBFSA-N
XLogP1.49
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-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

3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine-7-carboxylic acid
CID 153306427
(6R)-3-(1,1-difluoro-2,5-dihydroxypentyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 155341506
2-[(6R)-5-tert-butoxycarbonyl-6-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2,2-difluoro-acetic acid
CID 155343832
tert-butyl (6R)-3-(1,1-difluoro-2,5-dihydroxypentyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 155359436
2,2-Difluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]acetic acid
CID 155359517
tert-butyl (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 155731878
Ethyl 5-[3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]pentanoate
CID 75372909
methyl 2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)acetate
CID 131275588
Tert-butyl 3-(2-methoxy-2-oxoethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 176317326
methyl 2-(4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-5-ium-3-yl)acetate
CID 176943219
2-(6-Methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)acetic acid
CID 82400388
2-(5-Methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 82400390

Frequently Asked Questions

What is the IUPAC name of (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The IUPAC name of (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid (CID 155343946) is (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid.
What is the SMILES notation for (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The canonical SMILES for (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is CCOC(=O)C(F)(F)c1n[nH]c2c1CN(C(=O)O)[C@H](C)C2.
What is the InChIKey of (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
The InChIKey is VIZLHNRLBUSFJB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H15F2N3O4/c1-3-21-10(18)12(13,14)9-7-5-17(11(19)20)6(2)4-8(7)15-16-9/h6H,3-5H2,1-2H3,(H,15,16)(H,19,20)/t6-/m1/s1.
What are the key properties of (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid?
(6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid has a molecular weight of 303.27 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-(2-ethoxy-1,1-difluoro-2-oxoethyl)-6-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylic acid is sourced from PubChem (CID 155343946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).