N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine

C17H16ClF4N3 — CID 170331205

IUPACN-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
SMILESCN[C@@H](c1ccc(NC2Cc3ccc(Cl)c(F)c3C2)nc1)C(F)(F)F
InChIInChI=1S/C17H16ClF4N3/c1-23-16(17(20,21)22)10-3-5-14(24-8-10)25-11-6-9-2-4-13(18)15(19)12(9)7-11/h2-5,8,11,16,23H,6-7H2,1H3,(H,24,25)/t11?,16-/m0/s1
InChIKeyGUHPPODLSBRYKG-NBFOKTCDSA-N
MW373.78 g/mol
LogP4.28
Rot. Bonds4

About N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine

N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine (PubChem CID 170331205) has the molecular formula C17H16ClF4N3 and a molecular weight of 373.78 g/mol. Its IUPAC name is N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
PubChem CID170331205
Molecular FormulaC17H16ClF4N3
Molecular Weight373.78 g/mol
Exact Mass373.10
IUPAC NameN-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
SMILESCN[C@@H](c1ccc(NC2Cc3ccc(Cl)c(F)c3C2)nc1)C(F)(F)F
InChIInChI=1S/C17H16ClF4N3/c1-23-16(17(20,21)22)10-3-5-14(24-8-10)25-11-6-9-2-4-13(18)15(19)12(9)7-11/h2-5,8,11,16,23H,6-7H2,1H3,(H,24,25)/t11?,16-/m0/s1
InChIKeyGUHPPODLSBRYKG-NBFOKTCDSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.78
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The IUPAC name of N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine (CID 170331205) is N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine.
What is the SMILES notation for N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The canonical SMILES for N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine is CN[C@@H](c1ccc(NC2Cc3ccc(Cl)c(F)c3C2)nc1)C(F)(F)F.
What is the InChIKey of N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
The InChIKey is GUHPPODLSBRYKG-NBFOKTCDSA-N. The full InChI is InChI=1S/C17H16ClF4N3/c1-23-16(17(20,21)22)10-3-5-14(24-8-10)25-11-6-9-2-4-13(18)15(19)12(9)7-11/h2-5,8,11,16,23H,6-7H2,1H3,(H,24,25)/t11?,16-/m0/s1.
What are the key properties of N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine?
N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine has a molecular weight of 373.78 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)-5-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine is sourced from PubChem (CID 170331205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).