1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine

C16H23ClN6OS — CID 145210267

IUPAC1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
SMILESCC1CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1O.CN
InChIInChI=1S/C15H18ClN5OS.CH5N/c1-9-3-5-21(8-10(9)22)12-6-20-13(7-19-12)23-11-2-4-18-15(17)14(11)16;1-2/h2,4,6-7,9-10,22H,3,5,8H2,1H3,(H2,17,18);2H2,1H3
InChIKeyVHQHYDRGWSWFNE-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine

1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine (PubChem CID 145210267) has the molecular formula C16H23ClN6OS and a molecular weight of 382.92 g/mol. Its IUPAC name is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine.

Molecular Properties

Compound Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
PubChem CID145210267
Molecular FormulaC16H23ClN6OS
Molecular Weight382.92 g/mol
Exact Mass382.13
IUPAC Name1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
SMILESCC1CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1O.CN
InChIInChI=1S/C15H18ClN5OS.CH5N/c1-9-3-5-21(8-10(9)22)12-6-20-13(7-19-12)23-11-2-4-18-15(17)14(11)16;1-2/h2,4,6-7,9-10,22H,3,5,8H2,1H3,(H2,17,18);2H2,1H3
InChIKeyVHQHYDRGWSWFNE-UHFFFAOYSA-N
XLogP2.04
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine with MolForge

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Related Compounds

(3R,4S)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol;(3S,4R)-1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-(aminomethyl)-4-methylpiperidin-3-ol
CID 158312745
4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
CID 145210242
(3S,4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-ethenyl-8-azaspiro[4.5]decan-4-amine
CID 135197189
(4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-phenyl-2,8-diazaspiro[4.5]decan-4-amine
CID 155591704
4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
CID 161203675
2-trimethylsilylethyl 9-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 171782749
tert-butyl N-[[(3R)-1-[5-(3-amino-2-chlorophenyl)sulfanylpyrazin-2-yl]pyrrolidin-3-yl]methyl]carbamate
CID 167464944
5-(3-hydroxy-4-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 104918116
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
CID 164860834
3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.2.1]octan-8-amine
CID 156901247
1-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,2-c]pyrimidin-5-yl]azetidin-3-ol
CID 155448000

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine?
The IUPAC name of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine (CID 145210267) is 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine.
What is the SMILES notation for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine?
The canonical SMILES for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine is CC1CCN(c2cnc(Sc3ccnc(N)c3Cl)cn2)CC1O.CN.
What is the InChIKey of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine?
The InChIKey is VHQHYDRGWSWFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5OS.CH5N/c1-9-3-5-21(8-10(9)22)12-6-20-13(7-19-12)23-11-2-4-18-15(17)14(11)16;1-2/h2,4,6-7,9-10,22H,3,5,8H2,1H3,(H2,17,18);2H2,1H3.
What are the key properties of 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine?
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine has a molecular weight of 382.92 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine is sourced from PubChem (CID 145210267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).