6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine

C33H42F8N6O2 — CID 177333888

IUPAC6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine
SMILESCC(CC1(C)CCN1)C(F)(F)F.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O.CN
InChIInChI=1S/C24H23F5N4O2.C8H14F3N.CH5N/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29;1-6(8(9,10)11)5-7(2)3-4-12-7;1-2/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32);6,12H,3-5H2,1-2H3;2H2,1H3
InChIKeyFNUMUDNHPAMYOI-UHFFFAOYSA-N
MW706.72 g/mol
LogP6.91
Rot. Bonds9

About 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine

6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine (PubChem CID 177333888) has the molecular formula C33H42F8N6O2 and a molecular weight of 706.72 g/mol. Its IUPAC name is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine.

Molecular Properties

Compound Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine
PubChem CID177333888
Molecular FormulaC33H42F8N6O2
Molecular Weight706.72 g/mol
Exact Mass706.32
IUPAC Name6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine
SMILESCC(CC1(C)CCN1)C(F)(F)F.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O.CN
InChIInChI=1S/C24H23F5N4O2.C8H14F3N.CH5N/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29;1-6(8(9,10)11)5-7(2)3-4-12-7;1-2/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32);6,12H,3-5H2,1-2H3;2H2,1H3
InChIKeyFNUMUDNHPAMYOI-UHFFFAOYSA-N
XLogP6.91
TPSA128.06 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.72
LogP ≤ 56.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine with MolForge

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Related Compounds

N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 137354206
1-[4-(diethylamino)-2-[5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]-3-N-methylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152764256
N-[3-fluoro-4-[4-[(6-fluoro-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-5-oxo-6H-1,6-naphthyridin-2-yl]phenyl]cyclohexanecarboxamide
CID 164882544
4-butyl-2-methylpyridine;3-[[(Z)-2,3-dimethylbut-1-enyl]-ethenylamino]-N-(3-methyl-4-propylphenyl)-5-(trifluoromethyl)benzamide;N-methylformamide
CID 165142525
N-(cyclopropylmethyl)-N-[4-(5-formyl-2-pyridinyl)-2-(trifluoromethyl)phenyl]acetamide;(Z)-2-methanimidoyl-N'-methylpent-1-ene-1,5-diamine
CID 166131198
N-[(3Z,5E)-6-aminohepta-1,3,5-trien-2-yl]-2-(2,3-dimethylhexyl)-6-[3-fluoro-5-(2-methylpropylamino)phenyl]pyridine-3-carboxamide
CID 169947217
N-[2-fluoro-3-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methyl-6-(trifluoromethyl)phenyl]carbamoyl]phenyl]-N-methyl-2,6-bis(trifluoromethyl)pyridine-3-carboxamide
CID 169998934
1-[(3-amino-6-ethyl-2-formylphenyl)methyl]-N-tert-butylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
CID 174749129
1-[(3-amino-2-formyl-6-methylphenyl)methyl]-N-tert-butylpiperidine-4-carboxamide;2-(trifluoromethyl)pyridine
CID 174749509
[4-(2-amino-4-cyclobutyl-3-fluoro-N-methylanilino)-5-pent-1-en-2-yl-6-prop-2-enyl-3,6-dihydro-2H-pyridin-1-yl]-[6-(1,1-difluoroethyl)-5-ethyl-3-pyridinyl]methanone;2-methylpropanal
CID 176942877
6-[5-Amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-(1,2-oxazol-4-ylmethylamino)-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(2-methylpropyl)azetidine
CID 177333736
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-2-propylpyridine-3-carbaldehyde;methylhydrazine;N-methylmethanamine;2-methylpropane
CID 177333744

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine?
The IUPAC name of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine (CID 177333888) is 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine.
What is the SMILES notation for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine?
The canonical SMILES for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine is CC(CC1(C)CCN1)C(F)(F)F.CCCc1nc(-c2cc(N)c(F)c(C)c2C(F)(F)F)c(F)c(NCc2ccc(=O)n(C)c2)c1C=O.CN.
What is the InChIKey of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine?
The InChIKey is FNUMUDNHPAMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F5N4O2.C8H14F3N.CH5N/c1-4-5-17-15(11-34)22(31-9-13-6-7-18(35)33(3)10-13)21(26)23(32-17)14-8-16(30)20(25)12(2)19(14)24(27,28)29;1-6(8(9,10)11)5-7(2)3-4-12-7;1-2/h6-8,10-11H,4-5,9,30H2,1-3H3,(H,31,32);6,12H,3-5H2,1-2H3;2H2,1H3.
What are the key properties of 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine?
6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine has a molecular weight of 706.72 g/mol, XLogP of 6.91, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-5-fluoro-4-[(1-methyl-6-oxo-3-pyridinyl)methylamino]-2-propylpyridine-3-carbaldehyde;methanamine;2-methyl-2-(3,3,3-trifluoro-2-methylpropyl)azetidine is sourced from PubChem (CID 177333888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).