4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile

C19H23ClN6S — CID 145210242

IUPAC4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
SMILESC#N.Nc1nccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1Cl
InChIInChI=1S/C18H22ClN5S.CHN/c19-16-13(3-8-21-17(16)20)25-15-12-22-14(11-23-15)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,21);1H
InChIKeyKRRFOZWHCLCDMZ-UHFFFAOYSA-N
MW402.96 g/mol
LogP4.56
Rot. Bonds3

About 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile

4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile (PubChem CID 145210242) has the molecular formula C19H23ClN6S and a molecular weight of 402.96 g/mol. Its IUPAC name is 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile.

Molecular Properties

Compound Name4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
PubChem CID145210242
Molecular FormulaC19H23ClN6S
Molecular Weight402.96 g/mol
Exact Mass402.14
IUPAC Name4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile
SMILESC#N.Nc1nccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1Cl
InChIInChI=1S/C18H22ClN5S.CHN/c19-16-13(3-8-21-17(16)20)25-15-12-22-14(11-23-15)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,21);1H
InChIKeyKRRFOZWHCLCDMZ-UHFFFAOYSA-N
XLogP4.56
TPSA91.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.96
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile with MolForge

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Related Compounds

4-[5-(8-azaspiro[4.5]decan-8-yl)-3-iodopyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine
CID 134183046
(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
(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
8-[5-[[4-chloro-2-(pyrazin-2-ylmethyl)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307551
2-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]-1,3-thiazole-4-carbonitrile
CID 166932744
1-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methylpiperidin-3-ol;methanamine
CID 145210267
N-[3-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-2-chlorophenyl]pyrimidine-2-carboxamide
CID 166932794
1'-[5-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]
CID 166781280
8-[5-[[4-chloro-2-(oxolan-3-yloxy)-1H-benzimidazol-5-yl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decane
CID 167307783
8-[5-(4-bromo-3-chlorophenyl)sulfanylpyrazin-2-yl]-8-azaspiro[4.5]decane
CID 145210227
(1S)-1'-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 155774186

Frequently Asked Questions

What is the IUPAC name of 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile?
The IUPAC name of 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile (CID 145210242) is 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile.
What is the SMILES notation for 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile?
The canonical SMILES for 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile is C#N.Nc1nccc(Sc2cnc(N3CCC4(CCCC4)CC3)cn2)c1Cl.
What is the InChIKey of 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile?
The InChIKey is KRRFOZWHCLCDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5S.CHN/c19-16-13(3-8-21-17(16)20)25-15-12-22-14(11-23-15)24-9-6-18(7-10-24)4-1-2-5-18;1-2/h3,8,11-12H,1-2,4-7,9-10H2,(H2,20,21);1H.
What are the key properties of 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile?
4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile has a molecular weight of 402.96 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(8-azaspiro[4.5]decan-8-yl)pyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;formonitrile is sourced from PubChem (CID 145210242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).