(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine

C20H21ClN6S — CID 146485492

IUPAC(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccc(Sc2ccc3nc(N4[C@@H]5CC[C@H]4CC(N)C5)cnc3n2)c1Cl
InChIInChI=1S/C20H21ClN6S/c1-11-19(21)16(6-7-23-11)28-18-5-4-15-20(26-18)24-10-17(25-15)27-13-2-3-14(27)9-12(22)8-13/h4-7,10,12-14H,2-3,8-9,22H2,1H3/t12?,13-,14+
InChIKeyDPSUWKHAFNKNKH-AGUYFDCRSA-N
MW412.95 g/mol
LogP3.99
Rot. Bonds3

About (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine

(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 146485492) has the molecular formula C20H21ClN6S and a molecular weight of 412.95 g/mol. Its IUPAC name is (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID146485492
Molecular FormulaC20H21ClN6S
Molecular Weight412.95 g/mol
Exact Mass412.12
IUPAC Name(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCc1nccc(Sc2ccc3nc(N4[C@@H]5CC[C@H]4CC(N)C5)cnc3n2)c1Cl
InChIInChI=1S/C20H21ClN6S/c1-11-19(21)16(6-7-23-11)28-18-5-4-15-20(26-18)24-10-17(25-15)27-13-2-3-14(27)9-12(22)8-13/h4-7,10,12-14H,2-3,8-9,22H2,1H3/t12?,13-,14+
InChIKeyDPSUWKHAFNKNKH-AGUYFDCRSA-N
XLogP3.99
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.95
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

(6S)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 146553819
(4R)-1-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-4-methylazepan-4-amine
CID 146485538
3-chloro-4-[2-[(1S,4R)-2,5-diazabicyclo[2.2.2]octan-2-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 156901245
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
(1R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-methylspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146554238
(5S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485346
(4R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 146554065
4-[2-[3-(aminomethyl)-2-butylpyrrolidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 166882090
(4R)-8-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 146485729
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 156901251
(1S,5R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-1,2,4-triazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 155164111
[1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-yl]-methylcarbamic acid
CID 146485553

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine (CID 146485492) is (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine is Cc1nccc(Sc2ccc3nc(N4[C@@H]5CC[C@H]4CC(N)C5)cnc3n2)c1Cl.
What is the InChIKey of (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is DPSUWKHAFNKNKH-AGUYFDCRSA-N. The full InChI is InChI=1S/C20H21ClN6S/c1-11-19(21)16(6-7-23-11)28-18-5-4-15-20(26-18)24-10-17(25-15)27-13-2-3-14(27)9-12(22)8-13/h4-7,10,12-14H,2-3,8-9,22H2,1H3/t12?,13-,14+.
What are the key properties of (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine?
(1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 412.95 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-[6-[(3-chloro-2-methyl-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 146485492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).