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

C18H19ClFN7S — CID 146553935

IUPAC4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESNCC1(F)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C18H19ClFN7S/c19-15-12(3-6-23-16(15)22)28-14-2-1-11-17(26-14)24-9-13(25-11)27-7-4-18(20,10-21)5-8-27/h1-3,6,9H,4-5,7-8,10,21H2,(H2,22,23)
InChIKeyQDFJAJXFZGROOS-UHFFFAOYSA-N
MW419.92 g/mol
LogP3.07
Rot. Bonds4

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

4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (PubChem CID 146553935) has the molecular formula C18H19ClFN7S and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
PubChem CID146553935
Molecular FormulaC18H19ClFN7S
Molecular Weight419.92 g/mol
Exact Mass419.11
IUPAC Name4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
SMILESNCC1(F)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1
InChIInChI=1S/C18H19ClFN7S/c19-15-12(3-6-23-16(15)22)28-14-2-1-11-17(26-14)24-9-13(25-11)27-7-4-18(20,10-21)5-8-27/h1-3,6,9H,4-5,7-8,10,21H2,(H2,22,23)
InChIKeyQDFJAJXFZGROOS-UHFFFAOYSA-N
XLogP3.07
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 53.07
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
(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
US10301278, Example 37
CID 118249053
(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-(Aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485650
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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The IUPAC name of 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine (CID 146553935) is 4-[2-[4-(aminomethyl)-4-fluoropiperidin-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-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The canonical SMILES for 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is NCC1(F)CCN(c2cnc3nc(Sc4ccnc(N)c4Cl)ccc3n2)CC1.
What is the InChIKey of 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
The InChIKey is QDFJAJXFZGROOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN7S/c19-15-12(3-6-23-16(15)22)28-14-2-1-11-17(26-14)24-9-13(25-11)27-7-4-18(20,10-21)5-8-27/h1-3,6,9H,4-5,7-8,10,21H2,(H2,22,23).
What are the key properties of 4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine?
4-[2-[4-(aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine has a molecular weight of 419.92 g/mol, XLogP of 3.07, 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-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine is sourced from PubChem (CID 146553935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).