3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine

C19H22ClN7S — CID 146554211

IUPAC3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
SMILESCNC1(C)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN7S/c1-19(22-2)6-9-27(10-7-19)14-11-24-18-12(25-14)3-4-15(26-18)28-13-5-8-23-17(21)16(13)20/h3-5,8,11,22H,6-7,9-10H2,1-2H3,(H2,21,23)
InChIKeyGSOVNVHPLHWGDA-UHFFFAOYSA-N
MW415.95 g/mol
LogP3.38
Rot. Bonds4

About 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine

3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine (PubChem CID 146554211) has the molecular formula C19H22ClN7S and a molecular weight of 415.95 g/mol. Its IUPAC name is 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
PubChem CID146554211
Molecular FormulaC19H22ClN7S
Molecular Weight415.95 g/mol
Exact Mass415.13
IUPAC Name3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
SMILESCNC1(C)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H22ClN7S/c1-19(22-2)6-9-27(10-7-19)14-11-24-18-12(25-14)3-4-15(26-18)28-13-5-8-23-17(21)16(13)20/h3-5,8,11,22H,6-7,9-10H2,1-2H3,(H2,21,23)
InChIKeyGSOVNVHPLHWGDA-UHFFFAOYSA-N
XLogP3.38
TPSA92.85 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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine?
The IUPAC name of 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine (CID 146554211) is 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine?
The canonical SMILES for 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine is CNC1(C)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1.
What is the InChIKey of 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine?
The InChIKey is GSOVNVHPLHWGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN7S/c1-19(22-2)6-9-27(10-7-19)14-11-24-18-12(25-14)3-4-15(26-18)28-13-5-8-23-17(21)16(13)20/h3-5,8,11,22H,6-7,9-10H2,1-2H3,(H2,21,23).
What are the key properties of 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine?
3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine has a molecular weight of 415.95 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine is sourced from PubChem (CID 146554211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).