6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide

C19H19ClFN3O2 — CID 158411056

IUPAC6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2)C(CCO)=C(Cl)C3)c1F
InChIInChI=1S/C19H19ClFN3O2/c1-24(2)19(26)17-15(22)4-3-11(18(17)21)10-7-13-12(5-6-25)14(20)8-16(13)23-9-10/h3-4,7,9,25H,5-6,8,22H2,1-2H3
InChIKeyGZHWOZXTPOGCAL-UHFFFAOYSA-N
MW375.83 g/mol
LogP3.06
Rot. Bonds4

About 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide

6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide (PubChem CID 158411056) has the molecular formula C19H19ClFN3O2 and a molecular weight of 375.83 g/mol. Its IUPAC name is 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide
PubChem CID158411056
Molecular FormulaC19H19ClFN3O2
Molecular Weight375.83 g/mol
Exact Mass375.11
IUPAC Name6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2)C(CCO)=C(Cl)C3)c1F
InChIInChI=1S/C19H19ClFN3O2/c1-24(2)19(26)17-15(22)4-3-11(18(17)21)10-7-13-12(5-6-25)14(20)8-16(13)23-9-10/h3-4,7,9,25H,5-6,8,22H2,1-2H3
InChIKeyGZHWOZXTPOGCAL-UHFFFAOYSA-N
XLogP3.06
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.83
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-3-[2-chloro-3-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 148523221
6-amino-3-[3-(4-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 172556696
6-amino-2-fluoro-N,N-dimethyl-3-(2'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl)benzamide
CID 146537120
(E)-3-[5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]prop-2-enoic acid
CID 172556695
6-amino-2-fluoro-3-(3'-hydroxy-3'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-N,N-dimethylbenzamide
CID 146537525
6-amino-3-(3'-cyanospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclobutane]-5-yl)-2-fluoro-N,N-dimethylbenzamide
CID 166034606
6-amino-2-fluoro-3-(4'-hydroxyspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclohexane]-5-yl)-N,N-dimethylbenzamide
CID 146536708
5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,3'-cyclobutane]-1'-carboxamide
CID 166034643
6-amino-3-[(2'S,3R)-4-chloro-2'-(hydroxymethyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopropane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 146536722
6-amino-3-[3-ethyl-2-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 135331058
6-amino-2,3-difluoro-N,N-dimethylbenzamide
CID 70098378
6-amino-3-[(3R,3'R)-4-chloro-3'-(hydroxymethyl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
CID 166034700

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide?
The IUPAC name of 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide (CID 158411056) is 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide.
What is the SMILES notation for 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide?
The canonical SMILES for 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2)C(CCO)=C(Cl)C3)c1F.
What is the InChIKey of 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide?
The InChIKey is GZHWOZXTPOGCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFN3O2/c1-24(2)19(26)17-15(22)4-3-11(18(17)21)10-7-13-12(5-6-25)14(20)8-16(13)23-9-10/h3-4,7,9,25H,5-6,8,22H2,1-2H3.
What are the key properties of 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide?
6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 375.83 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-[6-chloro-5-(2-hydroxyethyl)-7H-cyclopenta[b]pyridin-3-yl]-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 158411056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).