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

C24H23F2N3 — CID 142680934

IUPACN-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
SMILESCc1c(C)n(N(CCc2ccc(F)cc2)Cc2cccc(F)c2)c2cnccc12
InChIInChI=1S/C24H23F2N3/c1-17-18(2)29(24-15-27-12-10-23(17)24)28(16-20-4-3-5-22(26)14-20)13-11-19-6-8-21(25)9-7-19/h3-10,12,14-15H,11,13,16H2,1-2H3
InChIKeyLZLGDOJYOFNUIF-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.31
Rot. Bonds6

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

N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine (PubChem CID 142680934) has the molecular formula C24H23F2N3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
PubChem CID142680934
Molecular FormulaC24H23F2N3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine
SMILESCc1c(C)n(N(CCc2ccc(F)cc2)Cc2cccc(F)c2)c2cnccc12
InChIInChI=1S/C24H23F2N3/c1-17-18(2)29(24-15-27-12-10-23(17)24)28(16-20-4-3-5-22(26)14-20)13-11-19-6-8-21(25)9-7-19/h3-10,12,14-15H,11,13,16H2,1-2H3
InChIKeyLZLGDOJYOFNUIF-UHFFFAOYSA-N
XLogP5.31
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine with MolForge

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Related Compounds

Besipirdine
CID 60691
Nerispirdine
CID 3081185
9-(4'-Aminophenyl)-9H-pyrido(3,4-b)indole
CID 154224
2-(4-Fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9814925
2-(4-Fluorophenyl)-3-(4-pyridinyl)pyrazolo[1,5-a]pyridine
CID 9857146
6-Fluoro-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 9944397
Indol-1-yl-prop-2-ynyl-pyridin-4-yl-amine
CID 10490725
Ethyl-indol-1-yl-pyridin-4-yl-amine
CID 10561859
Indol-1-yl-methyl-pyridin-4-yl-amine
CID 10799123
Butyl-indol-1-yl-pyridin-4-yl-amine
CID 10801657
(3-Ethyl-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10850308
4-[1-ethyl-3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 11012564

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine (CID 142680934) is N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine is Cc1c(C)n(N(CCc2ccc(F)cc2)Cc2cccc(F)c2)c2cnccc12.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
The InChIKey is LZLGDOJYOFNUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3/c1-17-18(2)29(24-15-27-12-10-23(17)24)28(16-20-4-3-5-22(26)14-20)13-11-19-6-8-21(25)9-7-19/h3-10,12,14-15H,11,13,16H2,1-2H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine?
N-[2-(4-fluorophenyl)ethyl]-N-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine has a molecular weight of 391.47 g/mol, XLogP of 5.31, 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-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-1-amine is sourced from PubChem (CID 142680934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).