6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine

C42H50Cl3F4N9 — CID 158176652

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
SMILESCc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)c1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H22F2N4.C12H15ClF2N2.C6H5Cl2N.C6H8N2/c1-12-10-16(21-14-4-7-18(19,20)8-5-14)22-17(11-12)24-9-6-15(23-24)13-2-3-13;1-8-6-10(13)17-11(7-8)16-9-2-4-12(14,15)5-3-9;1-4-2-5(7)9-6(8)3-4;1-2-5(1)6-3-4-7-8-6/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,21,22);6-7,9H,2-5H2,1H3,(H,16,17);2-3H,1H3;3-5H,1-2H2,(H,7,8)
InChIKeyFYBTXCUNGFBOOX-UHFFFAOYSA-N
MW863.28 g/mol
LogP12.46
Rot. Bonds7

About 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine

6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine (PubChem CID 158176652) has the molecular formula C42H50Cl3F4N9 and a molecular weight of 863.28 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
PubChem CID158176652
Molecular FormulaC42H50Cl3F4N9
Molecular Weight863.28 g/mol
Exact Mass861.32
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine
SMILESCc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)c1.c1cc(C2CC2)[nH]n1
InChIInChI=1S/C18H22F2N4.C12H15ClF2N2.C6H5Cl2N.C6H8N2/c1-12-10-16(21-14-4-7-18(19,20)8-5-14)22-17(11-12)24-9-6-15(23-24)13-2-3-13;1-8-6-10(13)17-11(7-8)16-9-2-4-12(14,15)5-3-9;1-4-2-5(7)9-6(8)3-4;1-2-5(1)6-3-4-7-8-6/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,21,22);6-7,9H,2-5H2,1H3,(H,16,17);2-3H,1H3;3-5H,1-2H2,(H,7,8)
InChIKeyFYBTXCUNGFBOOX-UHFFFAOYSA-N
XLogP12.46
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500863.28
LogP ≤ 512.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine with MolForge

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Related Compounds

4-[[5-(6-chloropyridin-3-yl)-1H-pyrazol-4-yl]methyl]-2-methyl-1-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 24864296
4-[3-(6-Chloro-pyridin-3-yl)-1H-pyrazol-4-ylmethyl]-2-(R)-methyl-1-(5-trifluoromethyl-pyridin-2-yl)-piperazine
CID 57999551
N-[4-(1,1-difluoroethyl)-2-pyridinyl]-4-methyl-6-(1H-pyrazol-4-yl)pyridin-2-amine;N-[4-(difluoromethyl)-2-pyridinyl]-4-ethyl-6-(1H-pyrazol-4-yl)pyridin-2-amine
CID 145687558
N-[2-(2-chlorophenyl)-5-ethyl-6-methylpyrimidin-4-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;5-fluoro-N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;methane
CID 157661595
(6-chloro-3-pyridinyl)methanamine;N-[(6-chloro-3-pyridinyl)methyl]-2,2,2-trifluoroacetamide;[6-(3-methylpyrazol-1-yl)-3-pyridinyl]methanamine;2,2,2-trifluoro-N-[[6-(3-methylpyrazol-1-yl)-3-pyridinyl]methyl]acetamide
CID 157888499
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-pyrazol-1-ylpyridin-2-amine;1H-pyrazole
CID 158759879
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 158965312
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyridin-2-amine;2,4-dichloro-6-(3-methylpyrazol-1-yl)pyridine;4,4-difluorocyclohexan-1-amine
CID 159015948
2-chloro-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridine;2,6-dichloro-4-methylpyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-methylpyridin-2-amine;3,5-dimethyl-1H-pyrazole
CID 160140660
4-aminochloranuidyl-1,1-difluorocyclohexane;2-chloro-4-isocyano-6-(3-methylpyrazol-1-yl)pyridine;2-chloro-4-isocyano-6-(5-methylpyrazol-1-yl)pyridine;2,6-dichloro-4-isocyanopyridine;bis(N-(4,4-difluorocyclohexyl)-4-isocyano-6-(3-methylpyrazol-1-yl)pyridin-2-amine);methane;5-methyl-1H-pyrazole
CID 160417300
2-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine;2,6-dichloropyridine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-N-methylpyridin-2-amine;N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyridin-2-amine;3,5-dimethyl-1H-pyrazole
CID 160450167
2-chloro-4-methyl-6-(3-methylpyrazol-1-yl)pyridine;4-methyl-6-(3-methylpyrazol-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]pyridin-2-amine;4-(trifluoromethyl)cyclohexan-1-amine
CID 160498653

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine (CID 158176652) is 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine is Cc1cc(Cl)nc(Cl)c1.Cc1cc(Cl)nc(NC2CCC(F)(F)CC2)c1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C3CC3)n2)c1.c1cc(C2CC2)[nH]n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine?
The InChIKey is FYBTXCUNGFBOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4.C12H15ClF2N2.C6H5Cl2N.C6H8N2/c1-12-10-16(21-14-4-7-18(19,20)8-5-14)22-17(11-12)24-9-6-15(23-24)13-2-3-13;1-8-6-10(13)17-11(7-8)16-9-2-4-12(14,15)5-3-9;1-4-2-5(7)9-6(8)3-4;1-2-5(1)6-3-4-7-8-6/h6,9-11,13-14H,2-5,7-8H2,1H3,(H,21,22);6-7,9H,2-5H2,1H3,(H,16,17);2-3H,1H3;3-5H,1-2H2,(H,7,8).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine?
6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine has a molecular weight of 863.28 g/mol, XLogP of 12.46, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;5-cyclopropyl-1H-pyrazole;6-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-4-methylpyridin-2-amine;2,6-dichloro-4-methylpyridine is sourced from PubChem (CID 158176652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).