3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

C19H23ClFN5S — CID 135225757

IUPAC3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
SMILESC[C@@H]1CCCC12CCN(c1cnc(Sc3cc(F)ncc3Cl)c(N)n1)CC2
InChIInChI=1S/C19H23ClFN5S/c1-12-3-2-4-19(12)5-7-26(8-6-19)16-11-24-18(17(22)25-16)27-14-9-15(21)23-10-13(14)20/h9-12H,2-8H2,1H3,(H2,22,25)/t12-/m1/s1
InChIKeyXYYBZSHEGJLDFD-GFCCVEGCSA-N
MW407.95 g/mol
LogP4.80
Rot. Bonds3

About 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine

3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (PubChem CID 135225757) has the molecular formula C19H23ClFN5S and a molecular weight of 407.95 g/mol. Its IUPAC name is 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
PubChem CID135225757
Molecular FormulaC19H23ClFN5S
Molecular Weight407.95 g/mol
Exact Mass407.13
IUPAC Name3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
SMILESC[C@@H]1CCCC12CCN(c1cnc(Sc3cc(F)ncc3Cl)c(N)n1)CC2
InChIInChI=1S/C19H23ClFN5S/c1-12-3-2-4-19(12)5-7-26(8-6-19)16-11-24-18(17(22)25-16)27-14-9-15(21)23-10-13(14)20/h9-12H,2-8H2,1H3,(H2,22,25)/t12-/m1/s1
InChIKeyXYYBZSHEGJLDFD-GFCCVEGCSA-N
XLogP4.80
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.95
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
CID 134401654
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247922
8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123630889
8-[6-amino-5-[[3-chloro-2-(dimethylamino)-4-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123512951
(4S)-8-[6-amino-5-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247999
3-(2,3-dichlorophenyl)sulfanyl-6-[(7S)-7-methyl-2-azaspiro[3.3]heptan-2-yl]pyrazin-2-amine
CID 134401671
8-[6-amino-5-[(2-amino-3-fluoro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-8-azaspiro[4.5]decan-4-amine
CID 167176008
6-(8-azaspiro[4.5]decan-8-yl)-3-[(3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-amine;thiohydroxylamine
CID 144887421
7-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-7-azaspiro[3.5]nonan-3-amine
CID 123271805
6-(4-amino-4-methylpiperidin-1-yl)-3-(4-bromo-2-chlorophenyl)sulfanylpyrazin-2-amine
CID 118248952
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6,7-difluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385238

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The IUPAC name of 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine (CID 135225757) is 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The canonical SMILES for 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is C[C@@H]1CCCC12CCN(c1cnc(Sc3cc(F)ncc3Cl)c(N)n1)CC2.
What is the InChIKey of 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
The InChIKey is XYYBZSHEGJLDFD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H23ClFN5S/c1-12-3-2-4-19(12)5-7-26(8-6-19)16-11-24-18(17(22)25-16)27-14-9-15(21)23-10-13(14)20/h9-12H,2-8H2,1H3,(H2,22,25)/t12-/m1/s1.
What are the key properties of 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine?
3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine has a molecular weight of 407.95 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-fluoro-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine is sourced from PubChem (CID 135225757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).