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

C18H20ClN7S — CID 146485656

IUPAC4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C18H20ClN7S/c1-18(21)5-8-26(9-6-18)13-10-23-17-11(24-13)2-3-14(25-17)27-12-4-7-22-16(20)15(12)19/h2-4,7,10H,5-6,8-9,21H2,1H3,(H2,20,22)
InChIKeyXETBCFSFVAVHSU-UHFFFAOYSA-N
MW401.93 g/mol
LogP3.12
Rot. Bonds3

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

4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 146485656) has the molecular formula C18H20ClN7S and a molecular weight of 401.93 g/mol. Its IUPAC name is 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
PubChem CID146485656
Molecular FormulaC18H20ClN7S
Molecular Weight401.93 g/mol
Exact Mass401.12
IUPAC Name4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESCC1(N)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C18H20ClN7S/c1-18(21)5-8-26(9-6-18)13-10-23-17-11(24-13)2-3-14(25-17)27-12-4-7-22-16(20)15(12)19/h2-4,7,10H,5-6,8-9,21H2,1H3,(H2,20,22)
InChIKeyXETBCFSFVAVHSU-UHFFFAOYSA-N
XLogP3.12
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.93
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The IUPAC name of 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (CID 146485656) is 4-[2-(4-amino-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-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The canonical SMILES for 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is CC1(N)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1.
What is the InChIKey of 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The InChIKey is XETBCFSFVAVHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7S/c1-18(21)5-8-26(9-6-18)13-10-23-17-11(24-13)2-3-14(25-17)27-12-4-7-22-16(20)15(12)19/h2-4,7,10H,5-6,8-9,21H2,1H3,(H2,20,22).
What are the key properties of 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 401.93 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 146485656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).