3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine

C24H22ClN7S — CID 146554051

IUPAC3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cccnc4C5)cnc3n2)c1Cl
InChIInChI=1S/C24H22ClN7S/c25-21-18(5-9-28-22(21)26)33-20-4-3-16-23(31-20)29-14-19(30-16)32-10-6-24(7-11-32)12-15-2-1-8-27-17(15)13-24/h1-5,8-9,14H,6-7,10-13H2,(H2,26,28)
InChIKeyVGVCWVWHVYDHIB-UHFFFAOYSA-N
MW476.01 g/mol
LogP4.59
Rot. Bonds3

About 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine

3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine (PubChem CID 146554051) has the molecular formula C24H22ClN7S and a molecular weight of 476.01 g/mol. Its IUPAC name is 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
PubChem CID146554051
Molecular FormulaC24H22ClN7S
Molecular Weight476.01 g/mol
Exact Mass475.13
IUPAC Name3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine
SMILESNc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cccnc4C5)cnc3n2)c1Cl
InChIInChI=1S/C24H22ClN7S/c25-21-18(5-9-28-22(21)26)33-20-4-3-16-23(31-20)29-14-19(30-16)32-10-6-24(7-11-32)12-15-2-1-8-27-17(15)13-24/h1-5,8-9,14H,6-7,10-13H2,(H2,26,28)
InChIKeyVGVCWVWHVYDHIB-UHFFFAOYSA-N
XLogP4.59
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.01
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

(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
(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
(5R)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-fluorospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 146485690
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'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-6-fluorospiro[3H-cyclopenta[b]pyridine-2,4'-piperidine]-1-amine
CID 156901246
1-[4-[2-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloro-2-pyridinyl]piperidin-4-ol
CID 146553932
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
(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-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-pyridinyl]methanol
CID 146553917
[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 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine (CID 146554051) is 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine is Nc1nccc(Sc2ccc3nc(N4CCC5(CC4)Cc4cccnc4C5)cnc3n2)c1Cl.
What is the InChIKey of 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine?
The InChIKey is VGVCWVWHVYDHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7S/c25-21-18(5-9-28-22(21)26)33-20-4-3-16-23(31-20)29-14-19(30-16)32-10-6-24(7-11-32)12-15-2-1-8-27-17(15)13-24/h1-5,8-9,14H,6-7,10-13H2,(H2,26,28).
What are the key properties of 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine?
3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine has a molecular weight of 476.01 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrido[2,3-b]pyrazin-6-yl)sulfanylpyridin-2-amine is sourced from PubChem (CID 146554051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).