6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

C17H17FN2O2 — CID 70980133

IUPAC6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc21
InChIInChI=1S/C17H17FN2O2/c1-17(2)10-20(16(21)22)14-8-12(9-19-15(14)17)7-11-3-5-13(18)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,22)
InChIKeyIHPSZHNZRZADRH-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.59
Rot. Bonds2

About 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid

6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (PubChem CID 70980133) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
PubChem CID70980133
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid
SMILESCC1(C)CN(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc21
InChIInChI=1S/C17H17FN2O2/c1-17(2)10-20(16(21)22)14-8-12(9-19-15(14)17)7-11-3-5-13(18)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,22)
InChIKeyIHPSZHNZRZADRH-UHFFFAOYSA-N
XLogP3.59
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-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-[[(2R,5R)-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-oxoethyl]-5-methylpiperazin-2-yl]methyl]-3,4-dimethyl-2H-pyrrol-5-one
CID 73672900
N-(tert-butyl)-1-(2-fluorophenyl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
CID 5064844
1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 71003497
US10377753, Example 419
CID 124176272
US10377753, Example 430
CID 124176282
US10377753, Example 431
CID 124176283
US10377753, Example 450
CID 124176303
US10377753, Example 461
CID 124176313
US10377753, Example 462
CID 124176315
US10377753, Example 495
CID 124176346
US10377753, Example 559
CID 124176410
US10377753, Example 558
CID 124176415

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The IUPAC name of 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid (CID 70980133) is 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The canonical SMILES for 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is CC1(C)CN(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc21.
What is the InChIKey of 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
The InChIKey is IHPSZHNZRZADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-17(2)10-20(16(21)22)14-8-12(9-19-15(14)17)7-11-3-5-13(18)6-4-11/h3-6,8-9H,7,10H2,1-2H3,(H,21,22).
What are the key properties of 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid?
6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid has a molecular weight of 300.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridine-1-carboxylic acid is sourced from PubChem (CID 70980133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).