1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride

C66H87Cl5N20S3 — CID 159482412

IUPAC1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCC1(C#N)CCCCC1.CC1(C#N)CCNCC1.Cc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(CN)CC2)cnc1Sc1ccnc(N)c1Cl.Cl.N#CC1CCCCC1
InChIInChI=1S/C17H23ClN6S.C17H19ClN6S.C10H8Cl2N4S.C8H13N.C7H12N2.C7H11N.ClH/c2*1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24;1-5-10(15-4-7(11)16-5)17-6-2-3-14-9(13)8(6)12;1-8(7-9)5-3-2-4-6-8;1-7(6-8)2-4-9-5-3-7;8-6-7-4-2-1-3-5-7;/h3,6,9H,4-5,7-8,10,19H2,1-2H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21);2-4H,1H3,(H2,13,14);2-6H2,1H3;9H,2-5H2,1H3;7H,1-5H2;1H
InChIKeyHQRDXSYYCCJITA-UHFFFAOYSA-N
MW1434.03 g/mol
LogP15.94
Rot. Bonds9

About 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride

1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride (PubChem CID 159482412) has the molecular formula C66H87Cl5N20S3 and a molecular weight of 1434.03 g/mol. Its IUPAC name is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride
PubChem CID159482412
Molecular FormulaC66H87Cl5N20S3
Molecular Weight1434.03 g/mol
Exact Mass1430.50
IUPAC Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride
SMILESCC1(C#N)CCCCC1.CC1(C#N)CCNCC1.Cc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(CN)CC2)cnc1Sc1ccnc(N)c1Cl.Cl.N#CC1CCCCC1
InChIInChI=1S/C17H23ClN6S.C17H19ClN6S.C10H8Cl2N4S.C8H13N.C7H12N2.C7H11N.ClH/c2*1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24;1-5-10(15-4-7(11)16-5)17-6-2-3-14-9(13)8(6)12;1-8(7-9)5-3-2-4-6-8;1-7(6-8)2-4-9-5-3-7;8-6-7-4-2-1-3-5-7;/h3,6,9H,4-5,7-8,10,19H2,1-2H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21);2-4H,1H3,(H2,13,14);2-6H2,1H3;9H,2-5H2,1H3;7H,1-5H2;1H
InChIKeyHQRDXSYYCCJITA-UHFFFAOYSA-N
XLogP15.94
TPSA333.76 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds9
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001434.03
LogP ≤ 515.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Analyze 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride with MolForge

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Related Compounds

6-[4-[(1R)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-[(1S)-1-aminoethyl]-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-[4-(1-aminoethyl)-4-methylpiperidin-1-yl]-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine
CID 157730674
3-[(2-Amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-diethylpiperidin-1-yl)pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-propylpiperidin-1-yl)pyrazin-2-amine;3-[(3-chloro-4-pyridinyl)sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]-6-(4,4-dimethylpiperidin-1-yl)pyrazin-2-amine;bis(3-[(2,3-dichloro-4-pyridinyl)sulfanyl]-6-(4-ethyl-4-methylpiperidin-1-yl)pyrazin-2-amine)
CID 160302404
3-[(2-Amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-propylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine
CID 160767880
3-[(2-Amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;bis(6-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-amine);6-(4-amino-4-methylpiperidin-1-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;6-(4-amino-4-methylpiperidin-1-yl)-3-[[3-chloro-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrazin-2-amine
CID 161125684
6-(4-Amino-4-phenylpiperidin-1-yl)-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;6-chloro-3-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-amine;4-phenylpiperidin-4-amine
CID 161572139
4-[5-[4-(Aminomethyl)-4-pyridin-2-ylpiperidin-1-yl]pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 124146506
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
CID 134182842
6-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
CID 134183039
1-[5-[(2-Amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile
CID 134183213
3-Chloro-4-[5-(4-ethyl-4-pyridin-2-ylpiperidin-1-yl)pyrazin-2-yl]sulfanylpyridin-2-amine
CID 135194198
6-(4-Amino-8-azaspiro[4.5]decan-8-yl)-3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazine-2-carbonitrile
CID 138735040
4-[1-[6-Cyclopropyl-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-propan-2-ylpiperidin-4-yl]butan-1-amine
CID 139309527

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride?
The IUPAC name of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride (CID 159482412) is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride.
What is the SMILES notation for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride?
The canonical SMILES for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride is CC1(C#N)CCCCC1.CC1(C#N)CCNCC1.Cc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(C#N)CC2)cnc1Sc1ccnc(N)c1Cl.Cc1nc(N2CCC(C)(CN)CC2)cnc1Sc1ccnc(N)c1Cl.Cl.N#CC1CCCCC1.
What is the InChIKey of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride?
The InChIKey is HQRDXSYYCCJITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN6S.C17H19ClN6S.C10H8Cl2N4S.C8H13N.C7H12N2.C7H11N.ClH/c2*1-11-16(25-12-3-6-21-15(20)14(12)18)22-9-13(23-11)24-7-4-17(2,10-19)5-8-24;1-5-10(15-4-7(11)16-5)17-6-2-3-14-9(13)8(6)12;1-8(7-9)5-3-2-4-6-8;1-7(6-8)2-4-9-5-3-7;8-6-7-4-2-1-3-5-7;/h3,6,9H,4-5,7-8,10,19H2,1-2H3,(H2,20,21);3,6,9H,4-5,7-8H2,1-2H3,(H2,20,21);2-4H,1H3,(H2,13,14);2-6H2,1H3;9H,2-5H2,1H3;7H,1-5H2;1H.
What are the key properties of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride?
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride has a molecular weight of 1434.03 g/mol, XLogP of 15.94, 9 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methylpyrazin-2-yl]-4-methylpiperidine-4-carbonitrile;4-[5-[4-(aminomethyl)-4-methylpiperidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;3-chloro-4-(5-chloro-3-methylpyrazin-2-yl)sulfanylpyridin-2-amine;cyclohexanecarbonitrile;1-methylcyclohexane-1-carbonitrile;4-methylpiperidine-4-carbonitrile;hydrochloride is sourced from PubChem (CID 159482412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).