[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine

C19H18Cl2FN5S — CID 146553933

IUPAC[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine
SMILESNCC1(F)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H18Cl2FN5S/c20-12-2-1-3-14(17(12)21)28-16-5-4-13-18(26-16)24-10-15(25-13)27-8-6-19(22,11-23)7-9-27/h1-5,10H,6-9,11,23H2
InChIKeyWDEQRHBPNCUNBM-UHFFFAOYSA-N
MW438.36 g/mol
LogP4.75
Rot. Bonds4

About [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine

[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine (PubChem CID 146553933) has the molecular formula C19H18Cl2FN5S and a molecular weight of 438.36 g/mol. Its IUPAC name is [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine
PubChem CID146553933
Molecular FormulaC19H18Cl2FN5S
Molecular Weight438.36 g/mol
Exact Mass437.06
IUPAC Name[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine
SMILESNCC1(F)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1
InChIInChI=1S/C19H18Cl2FN5S/c20-12-2-1-3-14(17(12)21)28-16-5-4-13-18(26-16)24-10-15(25-13)27-8-6-19(22,11-23)7-9-27/h1-5,10H,6-9,11,23H2
InChIKeyWDEQRHBPNCUNBM-UHFFFAOYSA-N
XLogP4.75
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{6-[(2,3-Dichlorophenyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl}-4-methylpiperidin-4-amine
CID 146485825
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
(4S)-1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]azepan-4-amine
CID 146553816
3-[2-(4-Amino-4-methylpiperidin-1-yl)pyrido[2,3-b]pyrazin-6-yl]sulfanyl-2-chlorobenzonitrile
CID 146554208
3-Chloro-4-[2-[4-methyl-4-(methylamino)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanylpyridin-2-amine
CID 146554211
US10301278, Example 28
CID 118248926
6-(3,4-Dichlorophenyl)sulfanylpteridine-2,4-diamine
CID 12736063
N'-[6-(3,4-dichlorophenyl)sulfanyl-2-[(E)-dimethylaminomethylideneamino]pteridin-4-yl]-N,N-dimethylmethanimidamide
CID 12736066
4-[2-[4-(Aminomethyl)-4-fluoropiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146553935
4-[2-[4-Amino-4-(trifluoromethyl)piperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146554033
(4R)-8-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrido[2,3-b]pyrazin-2-yl]-2,2-difluoro-8-azaspiro[4.5]decan-4-amine
CID 146554065

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine?
The IUPAC name of [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine (CID 146553933) is [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine?
The canonical SMILES for [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine is NCC1(F)CCN(c2cnc3nc(Sc4cccc(Cl)c4Cl)ccc3n2)CC1.
What is the InChIKey of [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine?
The InChIKey is WDEQRHBPNCUNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2FN5S/c20-12-2-1-3-14(17(12)21)28-16-5-4-13-18(26-16)24-10-15(25-13)27-8-6-19(22,11-23)7-9-27/h1-5,10H,6-9,11,23H2.
What are the key properties of [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine?
[1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine has a molecular weight of 438.36 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,3-dichlorophenyl)sulfanylpyrido[2,3-b]pyrazin-2-yl]-4-fluoropiperidin-4-yl]methanamine is sourced from PubChem (CID 146553933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).