methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene

C73H101F3N8O3S2 — CID 161357587

IUPACmethane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESC.C.C.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1
InChIInChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C10H11F3O.C10H16N2.3CH4/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3;;;/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3;3*1H4
InChIKeyVOTALMDWJGLZEO-UHFFFAOYSA-N
MW1259.79 g/mol
LogP19.51
Rot. Bonds15

About methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene

methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene (PubChem CID 161357587) has the molecular formula C73H101F3N8O3S2 and a molecular weight of 1259.79 g/mol. Its IUPAC name is methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Namemethane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
PubChem CID161357587
Molecular FormulaC73H101F3N8O3S2
Molecular Weight1259.79 g/mol
Exact Mass1258.74
IUPAC Namemethane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
SMILESC.C.C.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1
InChIInChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C10H11F3O.C10H16N2.3CH4/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3;;;/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3;3*1H4
InChIKeyVOTALMDWJGLZEO-UHFFFAOYSA-N
XLogP19.51
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.79
LogP ≤ 519.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene with MolForge

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Related Compounds

N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 157194020
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158777518
N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(2,2,2-trifluoroethyl)benzene;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 158906061
1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(3-propan-2-ylphenyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene
CID 160659384
1-(1,1-difluoroethoxy)-2-propan-2-ylbenzene;1-(2,2-difluoropropyl)-2-propan-2-ylbenzene;5-methoxy-4-methyl-1-[(4-propan-2-ylphenyl)methyl]pyrazole;N-methyl-1-(2-propan-2-ylphenyl)methanamine;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one
CID 161708279
1-[(6R)-2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-c]pyridin-6-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169134056
1-[(4R)-2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)thieno[3,2-c]pyridin-6-yl]-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169134140
1-[2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)thieno[3,2-c]pyridin-6-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169134496
1-[2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)thieno[3,2-c]pyridin-6-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169135055
1-[2-[7-(4-fluoro-2-propan-2-yloxyphenyl)-4-(4-methylpyrazol-1-yl)thieno[3,2-c]pyridin-6-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169135112
1-[(6R)-2-[7-[2,4-difluoro-6-(2-methoxyethoxy)phenyl]-4-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)thieno[3,2-c]pyridin-6-yl]-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 169135193
N-[[4-[4-amino-3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]thieno[3,2-c]pyridin-2-yl]-3-methylphenyl]methyl]prop-2-enamide
CID 172353473

Frequently Asked Questions

What is the IUPAC name of methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The IUPAC name of methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene (CID 161357587) is methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene.
What is the SMILES notation for methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The canonical SMILES for methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene is C.C.C.CC(C)c1ccc(Cn2cccn2)cc1.CC(C)c1ccc(N2CCCC2)nc1.CC(C)c1ccccc1OC(F)(F)F.CC(C)c1csc(-n2ccccc2=O)c1.CC(C)c1csc(Cn2ccccc2=O)c1.CNCc1cc(C(C)C)ccn1.
What is the InChIKey of methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
The InChIKey is VOTALMDWJGLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C10H11F3O.C10H16N2.3CH4/c1-11(2)13-6-4-12(5-7-13)10-15-9-3-8-14-15;1-10(2)11-7-12(16-9-11)8-14-6-4-3-5-13(14)15;1-10(2)11-5-6-12(13-9-11)14-7-3-4-8-14;1-9(2)10-7-12(15-8-10)13-6-4-3-5-11(13)14;1-7(2)8-5-3-4-6-9(8)14-10(11,12)13;1-8(2)9-4-5-12-10(6-9)7-11-3;;;/h3-9,11H,10H2,1-2H3;3-7,9-10H,8H2,1-2H3;5-6,9-10H,3-4,7-8H2,1-2H3;3-9H,1-2H3;3-7H,1-2H3;4-6,8,11H,7H2,1-3H3;3*1H4.
What are the key properties of methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene?
methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene has a molecular weight of 1259.79 g/mol, XLogP of 19.51, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-methyl-1-(4-propan-2-yl-2-pyridinyl)methanamine;1-[(4-propan-2-ylphenyl)methyl]pyrazole;5-propan-2-yl-2-pyrrolidin-1-ylpyridine;1-[(4-propan-2-ylthiophen-2-yl)methyl]pyridin-2-one;1-(4-propan-2-ylthiophen-2-yl)pyridin-2-one;1-propan-2-yl-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 161357587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).