3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine

C17H24ClN7S — CID 118249048

IUPAC3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine
SMILESCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H24ClN7S/c1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18/h3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24)
InChIKeyDWZMZOOSTKGHFJ-UHFFFAOYSA-N
MW393.95 g/mol
LogP2.80
Rot. Bonds5

About 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine (PubChem CID 118249048) has the molecular formula C17H24ClN7S and a molecular weight of 393.95 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine
PubChem CID118249048
Molecular FormulaC17H24ClN7S
Molecular Weight393.95 g/mol
Exact Mass393.15
IUPAC Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine
SMILESCCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C17H24ClN7S/c1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18/h3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24)
InChIKeyDWZMZOOSTKGHFJ-UHFFFAOYSA-N
XLogP2.80
TPSA119.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.95
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine with MolForge

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Related Compounds

Batoprotafib
CID 118238370
(4R)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118238414
US10301278, Example 42
CID 118239411
US10301278, Example 29
CID 118239475
US10336774, Example 52
CID 118247752
(3R,4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247772
US10301278, Example 20
CID 118248948
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
US10858359, Example 74
CID 132223029
(5S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]-5-amine
CID 135337362
(2R)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-amine
CID 135337592
US10934302, Example 87
CID 142433994

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine (CID 118249048) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine is CCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine?
The InChIKey is DWZMZOOSTKGHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN7S/c1-2-17(10-19)4-7-25(8-5-17)12-9-23-16(15(21)24-12)26-11-3-6-22-14(20)13(11)18/h3,6,9H,2,4-5,7-8,10,19H2,1H3,(H2,20,22)(H2,21,24).
What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine?
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine has a molecular weight of 393.95 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-ethylpiperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 118249048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).