N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride

C24H24ClF2N3 — CID 67142470

IUPACN-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride
SMILESCc1[nH]c2c(C(Cc3ccccc3F)N(C)c3ccc(F)cc3)nccc2c1C.Cl
InChIInChI=1S/C24H23F2N3.ClH/c1-15-16(2)28-23-20(15)12-13-27-24(23)22(14-17-6-4-5-7-21(17)26)29(3)19-10-8-18(25)9-11-19;/h4-13,22,28H,14H2,1-3H3;1H
InChIKeyJTXGGAOYMCQWOK-UHFFFAOYSA-N
MW427.93 g/mol
LogP6.30
Rot. Bonds5

About N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride

N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride (PubChem CID 67142470) has the molecular formula C24H24ClF2N3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride
PubChem CID67142470
Molecular FormulaC24H24ClF2N3
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC NameN-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride
SMILESCc1[nH]c2c(C(Cc3ccccc3F)N(C)c3ccc(F)cc3)nccc2c1C.Cl
InChIInChI=1S/C24H23F2N3.ClH/c1-15-16(2)28-23-20(15)12-13-27-24(23)22(14-17-6-4-5-7-21(17)26)29(3)19-10-8-18(25)9-11-19;/h4-13,22,28H,14H2,1-3H3;1H
InChIKeyJTXGGAOYMCQWOK-UHFFFAOYSA-N
XLogP6.30
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride 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

N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-methylphenyl)ethyl]-4-fluoro-N-methylaniline
CID 67141789
2,3-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-c]pyridin-7-amine
CID 67421486
3-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-N-[(2-methylphenyl)methyl]propan-1-amine;hydrochloride
CID 67141912
1-fluoro-2-[2-(4-fluorophenyl)butyl]benzene
CID 174779552
1-(3,5-dimethyl-2-pyridinyl)-2-(2-fluorophenyl)ethanamine
CID 113365597
N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride
CID 140547388
N-[3-[1-(2-fluorophenyl)propan-2-ylamino]propyl]methanesulfonamide
CID 102612376
N-[(4-fluorophenyl)methyl]-2,3-dimethyl-1H-pyrrolo[3,2-c]pyridin-7-amine;hydrochloride
CID 11659501
1-(4-fluoro-2-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 55116050
2-(3-ethoxy-2-pyridinyl)-3-(2-fluorophenyl)propanoic acid
CID 104573247
1-(2-ethylbutyl)-2-fluorobenzene
CID 139973427
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride?
The IUPAC name of N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride (CID 67142470) is N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride.
What is the SMILES notation for N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride?
The canonical SMILES for N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride is Cc1[nH]c2c(C(Cc3ccccc3F)N(C)c3ccc(F)cc3)nccc2c1C.Cl.
What is the InChIKey of N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride?
The InChIKey is JTXGGAOYMCQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3.ClH/c1-15-16(2)28-23-20(15)12-13-27-24(23)22(14-17-6-4-5-7-21(17)26)29(3)19-10-8-18(25)9-11-19;/h4-13,22,28H,14H2,1-3H3;1H.
What are the key properties of N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride?
N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-2-(2-fluorophenyl)ethyl]-4-fluoro-N-methylaniline;hydrochloride is sourced from PubChem (CID 67142470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).