N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide

C22H24ClF4N3O — CID 170331384

IUPACN-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(c1ccc(NC2Cc3cc(Cl)cc(F)c3C2)cn1)C(F)(F)F
InChIInChI=1S/C22H24ClF4N3O/c1-21(2,3)20(31)30(4)19(22(25,26)27)18-6-5-14(11-28-18)29-15-8-12-7-13(23)9-17(24)16(12)10-15/h5-7,9,11,15,19,29H,8,10H2,1-4H3
InChIKeyDQWWTTVNLQJSPJ-UHFFFAOYSA-N
MW457.90 g/mol
LogP5.56
Rot. Bonds4

About N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide

N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide (PubChem CID 170331384) has the molecular formula C22H24ClF4N3O and a molecular weight of 457.90 g/mol. Its IUPAC name is N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide
PubChem CID170331384
Molecular FormulaC22H24ClF4N3O
Molecular Weight457.90 g/mol
Exact Mass457.15
IUPAC NameN-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide
SMILESCN(C(=O)C(C)(C)C)C(c1ccc(NC2Cc3cc(Cl)cc(F)c3C2)cn1)C(F)(F)F
InChIInChI=1S/C22H24ClF4N3O/c1-21(2,3)20(31)30(4)19(22(25,26)27)18-6-5-14(11-28-18)29-15-8-12-7-13(23)9-17(24)16(12)10-15/h5-7,9,11,15,19,29H,8,10H2,1-4H3
InChIKeyDQWWTTVNLQJSPJ-UHFFFAOYSA-N
XLogP5.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.90
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide with MolForge

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Related Compounds

N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170331181
N-[1-[5-[(4,6-dichloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170331445
N-[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxopiperidine-2-carboxamide
CID 170331132
N-[1-[5-[(4,7-difluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170330948
N-[1-[5-[(4-chloro-7-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170331325
N-methyl-1,1-dioxo-N-[2,2,2-trifluoro-1-[5-[(4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]ethyl]thiane-4-carboxamide
CID 170331262
2-[[(1S)-1-[5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]-5-oxopyrrolidine-1-carboxylic acid
CID 170331276
(3S)-N-[(1S)-1-[5-[(5-chloro-4-cyclopropyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 170331057
N-[1-[5-[(4,7-dimethyl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methylthiane-4-carboxamide
CID 170330868
N-[(1S)-1-[5-[(5-chloro-4-propan-2-yl-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-1,1-dioxothiane-4-carboxamide
CID 170576038
N-[1-[5-[(5-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-1-(oxetane-2-carbonyl)azetidine-3-carboxamide
CID 170331355
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331408

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide (CID 170331384) is N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide is CN(C(=O)C(C)(C)C)C(c1ccc(NC2Cc3cc(Cl)cc(F)c3C2)cn1)C(F)(F)F.
What is the InChIKey of N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide?
The InChIKey is DQWWTTVNLQJSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF4N3O/c1-21(2,3)20(31)30(4)19(22(25,26)27)18-6-5-14(11-28-18)29-15-8-12-7-13(23)9-17(24)16(12)10-15/h5-7,9,11,15,19,29H,8,10H2,1-4H3.
What are the key properties of N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide?
N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide has a molecular weight of 457.90 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(6-chloro-4-fluoro-2,3-dihydro-1H-inden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 170331384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).