6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

C37H40F6N12S2 — CID 161213468

IUPAC6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)
InChIKeyUWNVKPPPMZWZAS-UHFFFAOYSA-N
MW830.93 g/mol
LogP6.88
Rot. Bonds8

About 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine

6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (PubChem CID 161213468) has the molecular formula C37H40F6N12S2 and a molecular weight of 830.93 g/mol. Its IUPAC name is 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
PubChem CID161213468
Molecular FormulaC37H40F6N12S2
Molecular Weight830.93 g/mol
Exact Mass830.28
IUPAC Name6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
SMILESNCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F
InChIInChI=1S/C21H21F3N6S.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24)
InChIKeyUWNVKPPPMZWZAS-UHFFFAOYSA-N
XLogP6.88
TPSA187.90 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.93
LogP ≤ 56.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
(3R,4R)-4-amino-1-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol
CID 139365351
6-[6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 164860285
6-(2-methyl-1-oxa-3,8-diazaspiro[4.5]dec-2-en-8-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 134401681
(S)-N-[8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-3-fluoro-8-azaspiro[4.5]decan-4-yl]-2-methylpropane-2-sulfinamide
CID 163686081
[3-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-7-(4-methyl-1,3-thiazol-2-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl-benzylcarbamic acid
CID 175754850
(4S)-8-[6-amino-5-[(2-chloro-3-pyridinyl)sulfanyl]pyrazin-2-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine;(2R,4R)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-2-methyl-8-azaspiro[4.5]decan-4-amine
CID 159693278
3-[(3S)-3-amino-1'-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-5-yl]-N-methylprop-2-ynamide
CID 171454750
2-(4,4-dimethylpiperidin-1-yl)-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 135194206
6-(4,4-dimethylpiperidin-1-yl)-3-phenylsulfanylpyrazin-2-amine
CID 167263224
4-methyl-1-[7-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]-5H-pyrrolo[3,4-b]pyrazin-3-yl]piperidin-4-amine
CID 158932131
3-(3-amino-2-chlorophenyl)sulfanyl-6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]pyrazin-2-amine;(3R,4S)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3S,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;(3R,4R)-6-[6-amino-5-(2,3-dichlorophenyl)sulfanylpyrazin-2-yl]-6-azaspiro[3.4]octan-3-amine;5-amino-3-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-6-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine-2-carboxamide;3-(2,3-dichlorophenyl)sulfanyl-6-(3-methyl-7-azaspiro[3.5]nonan-7-yl)pyrazin-2-amine;6-[(3S)-3-methyl-7-azaspiro[3.5]nonan-7-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 158312234

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The IUPAC name of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine (CID 161213468) is 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine.
What is the SMILES notation for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The canonical SMILES for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is NCC1CCCN(c2cnc(Sc3cccnc3C(F)(F)F)c(N)n2)C1.Nc1nc(N2CCC(N)(c3ccccc3)CC2)cnc1Sc1cccnc1C(F)(F)F.
What is the InChIKey of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
The InChIKey is UWNVKPPPMZWZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6S.C16H19F3N6S/c22-21(23,24)17-15(7-4-10-27-17)31-19-18(25)29-16(13-28-19)30-11-8-20(26,9-12-30)14-5-2-1-3-6-14;17-16(18,19)13-11(4-1-5-22-13)26-15-14(21)24-12(8-23-15)25-6-2-3-10(7-20)9-25/h1-7,10,13H,8-9,11-12,26H2,(H2,25,29);1,4-5,8,10H,2-3,6-7,9,20H2,(H2,21,24).
What are the key properties of 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine?
6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine has a molecular weight of 830.93 g/mol, XLogP of 6.88, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)piperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-(4-amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine is sourced from PubChem (CID 161213468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).