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

C32H42F5N5O2 — CID 177333477

IUPAC6-[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
SMILESCC(C)CC1(C)CCN1.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(OCc2cccnc2)c1C=O.CN
InChIInChI=1S/C23H20F5N3O2.C8H17N.CH5N/c1-3-5-17-15(10-32)22(33-11-13-6-4-7-30-9-13)20(25)21(31-17)14-8-16(29)19(24)12(2)18(14)23(26,27)28;1-7(2)6-8(3)4-5-9-8;1-2/h4,6-10H,3,5,11,29H2,1-2H3;7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyAQQQTVDPISWTSN-UHFFFAOYSA-N
MW623.71 g/mol
LogP7.03
Rot. Bonds9

About 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

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 (PubChem CID 177333477) has the molecular formula C32H42F5N5O2 and a molecular weight of 623.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID177333477
Molecular FormulaC32H42F5N5O2
Molecular Weight623.71 g/mol
Exact Mass623.33
IUPAC Name6-[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
SMILESCC(C)CC1(C)CCN1.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(OCc2cccnc2)c1C=O.CN
InChIInChI=1S/C23H20F5N3O2.C8H17N.CH5N/c1-3-5-17-15(10-32)22(33-11-13-6-4-7-30-9-13)20(25)21(31-17)14-8-16(29)19(24)12(2)18(14)23(26,27)28;1-7(2)6-8(3)4-5-9-8;1-2/h4,6-10H,3,5,11,29H2,1-2H3;7,9H,4-6H2,1-3H3;2H2,1H3
InChIKeyAQQQTVDPISWTSN-UHFFFAOYSA-N
XLogP7.03
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.71
LogP ≤ 57.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxypyridin-3-yl)-6-[(2R)-2-ethyl-4-[2-methoxy-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-2-fluoro-N-[2-(methylamino)ethyl]benzamide
CID 146361724
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
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,7Z)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-7-ethylidene-13-fluoro-12-[[2-(hydroxymethyl)-3-pyridinyl]methylamino]-3-methyl-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333511
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-[4-[2-(methylamino)ethylamino]butan-2-yloxy]-4-(pyrazin-2-ylmethylamino)pyridine-3-carbaldehyde;ethane
CID 177333543
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-[1-(2-methylazetidin-2-yl)butan-2-yloxy]pyridine-3-carbaldehyde;methanamine
CID 177333582
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-2-butan-2-yloxy-5-fluoro-4-[[6-(hydroxymethyl)-3-pyridinyl]methylamino]-N-[2-(methylamino)ethyl]pyridine-3-carboxamide;ethane
CID 177333667
6-[5-amino-3,4-difluoro-2-(trifluoromethyl)phenyl]-2-butan-2-yloxy-5-fluoro-4-[(1-methylpyrazol-3-yl)methylamino]pyridine-3-carbaldehyde;ethane;N-methyl-2-methyliminoethanamine
CID 177333673
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-4-[[5-[(dimethylamino)methyl]-6-formyl-3-pyridinyl]methylamino]-5-fluoro-2-[4-[2-(methylamino)ethylamino]butan-2-yloxy]pyridine-3-carbaldehyde;ethane
CID 177333699
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-2-[4-[2-(dimethylamino)ethylamino]butan-2-yloxy]-5-fluoro-4-[[2-(hydroxymethyl)-3-pyridinyl]methylamino]pyridine-3-carbaldehyde;ethane
CID 177333711
(3S)-14-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-13-fluoro-3,7-dimethyl-12-[[6-(trifluoromethyl)-3-pyridinyl]methylamino]-2-oxa-6,9,15-triazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-10-one
CID 177333725
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-[4-[2-(methylamino)ethylamino]butan-2-yloxy]-4-(pyrimidin-5-ylmethylamino)pyridine-3-carbaldehyde;ethane
CID 177333734

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)CC1(C)CCN1.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(OCc2cccnc2)c1C=O.CN.
What is the InChIKey of 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?
The InChIKey is AQQQTVDPISWTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F5N3O2.C8H17N.CH5N/c1-3-5-17-15(10-32)22(33-11-13-6-4-7-30-9-13)20(25)21(31-17)14-8-16(29)19(24)12(2)18(14)23(26,27)28;1-7(2)6-8(3)4-5-9-8;1-2/h4,6-10H,3,5,11,29H2,1-2H3;7,9H,4-6H2,1-3H3;2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 623.71 g/mol, XLogP of 7.03, 9 rotatable bonds, 3 hydrogen bond donors, and 7 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-propyl-4-(pyridin-3-ylmethoxy)pyridine-3-carbaldehyde;methanamine;2-methyl-2-(2-methylpropyl)azetidine is sourced from PubChem (CID 177333477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).