1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine

C22H25ClN8S — CID 142433936

IUPAC1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCC1(N)c2cccnc2CC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2
InChIInChI=1S/C22H25ClN8S/c1-21(26)13-3-2-7-27-14(13)11-22(21)5-9-31(10-6-22)16-12-29-20(19(25)30-16)32-15-4-8-28-18(24)17(15)23/h2-4,7-8,12H,5-6,9-11,26H2,1H3,(H2,24,28)(H2,25,30)
InChIKeyJYTLFMXDOWJSEC-UHFFFAOYSA-N
MW469.02 g/mol
LogP3.25
Rot. Bonds3

About 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine

1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine (PubChem CID 142433936) has the molecular formula C22H25ClN8S and a molecular weight of 469.02 g/mol. Its IUPAC name is 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine.

Molecular Properties

Compound Name1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
PubChem CID142433936
Molecular FormulaC22H25ClN8S
Molecular Weight469.02 g/mol
Exact Mass468.16
IUPAC Name1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
SMILESCC1(N)c2cccnc2CC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2
InChIInChI=1S/C22H25ClN8S/c1-21(26)13-3-2-7-27-14(13)11-22(21)5-9-31(10-6-22)16-12-29-20(19(25)30-16)32-15-4-8-28-18(24)17(15)23/h2-4,7-8,12H,5-6,9-11,26H2,1H3,(H2,24,28)(H2,25,30)
InChIKeyJYTLFMXDOWJSEC-UHFFFAOYSA-N
XLogP3.25
TPSA132.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.02
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine with MolForge

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Related Compounds

(R)-N-[1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-yl]-2-methylpropane-2-sulfinamide
CID 142434115
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 135337300
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
(2R)-2-amino-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3-dihydroindene-1,4'-piperidine]-4-carbonitrile
CID 142433799
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
(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
(3aR)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[2,3,3a,4,6,6a-hexahydrocyclopenta[b]furan-5,4'-piperidine]-4-amine
CID 150621154
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385295

Frequently Asked Questions

What is the IUPAC name of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The IUPAC name of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine (CID 142433936) is 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine.
What is the SMILES notation for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The canonical SMILES for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine is CC1(N)c2cccnc2CC12CCN(c1cnc(Sc3ccnc(N)c3Cl)c(N)n1)CC2.
What is the InChIKey of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
The InChIKey is JYTLFMXDOWJSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN8S/c1-21(26)13-3-2-7-27-14(13)11-22(21)5-9-31(10-6-22)16-12-29-20(19(25)30-16)32-15-4-8-28-18(24)17(15)23/h2-4,7-8,12H,5-6,9-11,26H2,1H3,(H2,24,28)(H2,25,30).
What are the key properties of 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine?
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine has a molecular weight of 469.02 g/mol, XLogP of 3.25, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine is sourced from PubChem (CID 142433936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).