6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane

C25H37F5N4O2 — CID 177333484

IUPAC6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CCC(CC)Oc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNCCNC
InChIInChI=1S/C19H19F5N2O2.C4H12N2.C2H6/c1-4-11(5-2)28-18-10(8-27)6-13(20)17(26-18)12-7-14(25)16(21)9(3)15(12)19(22,23)24;1-5-3-4-6-2;1-2/h6-8,11H,4-5,25H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyXTVQPQUCSBTCKO-UHFFFAOYSA-N
MW520.59 g/mol
LogP5.77
Rot. Bonds9

About 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane

6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane (PubChem CID 177333484) has the molecular formula C25H37F5N4O2 and a molecular weight of 520.59 g/mol. Its IUPAC name is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane.

Molecular Properties

Compound Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane
PubChem CID177333484
Molecular FormulaC25H37F5N4O2
Molecular Weight520.59 g/mol
Exact Mass520.28
IUPAC Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane
SMILESCC.CCC(CC)Oc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNCCNC
InChIInChI=1S/C19H19F5N2O2.C4H12N2.C2H6/c1-4-11(5-2)28-18-10(8-27)6-13(20)17(26-18)12-7-14(25)16(21)9(3)15(12)19(22,23)24;1-5-3-4-6-2;1-2/h6-8,11H,4-5,25H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3
InChIKeyXTVQPQUCSBTCKO-UHFFFAOYSA-N
XLogP5.77
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.59
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane 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

2-Fluoro-5-[2-methyl-6-[3-(methylamino)propoxy]-3-pyridinyl]benzaldehyde
CID 144566041
6-Fluoro-2-[(4-methoxy-3-methylcyclohexa-1,5-dien-1-yl)methoxy]-8-(methylamino)quinoline-3-carbaldehyde
CID 146340292
2-(2-but-3-enyl-4-fluoroanilino)-5-(trifluoromethyl)benzaldehyde;6-methoxy-N-methyl-2-prop-2-enylpyridin-3-amine
CID 170612100
N-[2-[[1-[5-(2,6-dimethylphenyl)-2,3-difluorophenyl]-3-ethoxybut-3-enyl]amino]-2-oxoethyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 172377114
(3S)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-13-fluoro-3-methyl-12-[(1-methyl-2-oxo-4-pyridinyl)methylamino]-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333469
(12S)-8-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-7-fluoro-12-methyl-6-[[(1R)-1-phenylethyl]amino]-11-oxa-3,9,17-triazatricyclo[12.2.1.05,10]heptadeca-5,7,9-trien-4-one
CID 177333472
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propyl-4-(pyridin-3-ylmethoxy)pyridine-3-carbaldehyde;methanamine;2-methyl-2-(2-methylpropyl)azetidine
CID 177333477
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-2-[4-(butylamino)butan-2-yloxy]-5-fluoro-4-[(6-oxo-1H-pyridin-2-yl)methylamino]pyridine-3-carbaldehyde;ethane;methanamine
CID 177333489
(3S)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-12-[(3,3-difluoropiperidin-1-yl)methylamino]-13-fluoro-3-methyl-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333500
(3S,7Z)-14-[3-amino-2,4-difluoro-5-methyl-6-(trifluoromethyl)phenyl]-7-ethylidene-13-fluoro-3-methyl-12-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333505
(3S)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-12-[[(8R)-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methylamino]-7-ethyl-13-fluoro-3-methyl-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333526
(3S)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-12-[(3,3-difluoropiperidin-1-yl)methylamino]-7-ethyl-13-fluoro-3-methyl-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333536

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane?
The IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane (CID 177333484) is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane.
What is the SMILES notation for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane?
The canonical SMILES for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane is CC.CCC(CC)Oc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)cc1C=O.CNCCNC.
What is the InChIKey of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane?
The InChIKey is XTVQPQUCSBTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F5N2O2.C4H12N2.C2H6/c1-4-11(5-2)28-18-10(8-27)6-13(20)17(26-18)12-7-14(25)16(21)9(3)15(12)19(22,23)24;1-5-3-4-6-2;1-2/h6-8,11H,4-5,25H2,1-3H3;5-6H,3-4H2,1-2H3;1-2H3.
What are the key properties of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane?
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane has a molecular weight of 520.59 g/mol, XLogP of 5.77, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-pentan-3-yloxypyridine-3-carbaldehyde;N,N'-dimethylethane-1,2-diamine;ethane is sourced from PubChem (CID 177333484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).