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

C70H89F3N8O3S2 — CID 157194020

IUPACN-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
SMILESCC(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/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
InChIKeyAQAJOMQBMYAGST-UHFFFAOYSA-N
MW1211.66 g/mol
LogP17.60
Rot. Bonds15

About 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

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 157194020) has the molecular formula C70H89F3N8O3S2 and a molecular weight of 1211.66 g/mol. Its IUPAC name is 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 NameN-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 CID157194020
Molecular FormulaC70H89F3N8O3S2
Molecular Weight1211.66 g/mol
Exact Mass1210.65
IUPAC NameN-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
SMILESCC(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/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
InChIKeyAQAJOMQBMYAGST-UHFFFAOYSA-N
XLogP17.60
TPSA112.10 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001211.66
LogP ≤ 517.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 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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Launch Full Analysis

Related Compounds

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4-fluoro-N-[6-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzenesulfonamide
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1-[(6-piperidin-1-yl-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
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5-propan-2-yl-2-(pyrazol-1-ylmethyl)pyridine
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N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
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Frequently Asked Questions

What is the IUPAC name of 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 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) is 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 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 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 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 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 AQAJOMQBMYAGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C13H15NOS.C12H18N2.C12H13NOS.C10H11F3O.C10H16N2/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.
What are the key properties of 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?
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 1211.66 g/mol, XLogP of 17.60, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 157194020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).