4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine

C19H22ClN7S — CID 146485650

IUPAC4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(CN)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN7S/c1-19(11-21)5-8-27(9-6-19)14-10-24-18-12(25-14)2-3-15(26-18)28-13-4-7-23-17(22)16(13)20/h2-4,7,10H,5-6,8-9,11,21H2,1H3,(H2,22,23)
InChIKeyFZVDMPMSYYNXLJ-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.37
Rot. Bonds4

About 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine

4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 146485650) has the molecular formula C19H22ClN7S and a molecular weight of 415.95 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
PubChem CID146485650
Molecular FormulaC19H22ClN7S
Molecular Weight415.95 g/mol
Exact Mass415.13
IUPAC Name4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(CN)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN7S/c1-19(11-21)5-8-27(9-6-19)14-10-24-18-12(25-14)2-3-15(26-18)28-13-4-7-23-17(22)16(13)20/h2-4,7,10H,5-6,8-9,11,21H2,1H3,(H2,22,23)
InChIKeyFZVDMPMSYYNXLJ-UHFFFAOYSA-N
XLogP3.37
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 71562847
US10301278, Example 42
CID 118239411
(3S,4S)-8-{6-[(2-amino-3-chloropyridin-4-yl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146485752
1-{6-[(2,3-Dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine
CID 146485825
1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
CID 71563226
(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
(5S)-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 146485465
Shp2-IN-23
CID 146485511
(1R,5S)-3-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-3-azabicyclo[3.1.1]heptan-6-amine
CID 146485611
4-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485656
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-5-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146485793
(1S)-1'-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 146485842

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The IUPAC name of 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (CID 146485650) is 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.
What is the SMILES notation for 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The canonical SMILES for 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is CC1(CN)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1.
What is the InChIKey of 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The InChIKey is FZVDMPMSYYNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7S/c1-19(11-21)5-8-27(9-6-19)14-10-24-18-12(25-14)2-3-15(26-18)28-13-4-7-23-17(22)16(13)20/h2-4,7,10H,5-6,8-9,11,21H2,1H3,(H2,22,23).
What are the key properties of 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 415.95 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 146485650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).