N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride

C24H24ClF2N3 — CID 140547388

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride
SMILESCc1c(C)n(N(CCc2ccc(F)cc2)Cc2ccccc2F)c2cnccc12.Cl
InChIInChI=1S/C24H23F2N3.ClH/c1-17-18(2)29(24-15-27-13-11-22(17)24)28(16-20-5-3-4-6-23(20)26)14-12-19-7-9-21(25)10-8-19;/h3-11,13,15H,12,14,16H2,1-2H3;1H
InChIKeyGLUAJEREUZESGT-UHFFFAOYSA-N
MW427.93 g/mol
LogP5.73
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride

N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride (PubChem CID 140547388) has the molecular formula C24H24ClF2N3 and a molecular weight of 427.93 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride
PubChem CID140547388
Molecular FormulaC24H24ClF2N3
Molecular Weight427.93 g/mol
Exact Mass427.16
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride
SMILESCc1c(C)n(N(CCc2ccc(F)cc2)Cc2ccccc2F)c2cnccc12.Cl
InChIInChI=1S/C24H23F2N3.ClH/c1-17-18(2)29(24-15-27-13-11-22(17)24)28(16-20-5-3-4-6-23(20)26)14-12-19-7-9-21(25)10-8-19;/h3-11,13,15H,12,14,16H2,1-2H3;1H
InChIKeyGLUAJEREUZESGT-UHFFFAOYSA-N
XLogP5.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.93
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride (CID 140547388) is N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride is Cc1c(C)n(N(CCc2ccc(F)cc2)Cc2ccccc2F)c2cnccc12.Cl.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride?
The InChIKey is GLUAJEREUZESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3.ClH/c1-17-18(2)29(24-15-27-13-11-22(17)24)28(16-20-5-3-4-6-23(20)26)14-12-19-7-9-21(25)10-8-19;/h3-11,13,15H,12,14,16H2,1-2H3;1H.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride?
N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride has a molecular weight of 427.93 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-N-[(2-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine;hydrochloride is sourced from PubChem (CID 140547388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).