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

C19H28ClN7OS — CID 123544511

IUPAC3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine
SMILESCOC(CCN)CC1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C19H28ClN7OS/c1-28-13(2-6-21)10-12-4-8-27(9-5-12)15-11-25-19(18(23)26-15)29-14-3-7-24-17(22)16(14)20/h3,7,11-13H,2,4-6,8-10,21H2,1H3,(H2,22,24)(H2,23,26)
InChIKeyLQIBBFCFYUFCNC-UHFFFAOYSA-N
MW438.00 g/mol
LogP2.81
Rot. Bonds8

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

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine (PubChem CID 123544511) has the molecular formula C19H28ClN7OS and a molecular weight of 438.00 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine
PubChem CID123544511
Molecular FormulaC19H28ClN7OS
Molecular Weight438.00 g/mol
Exact Mass437.18
IUPAC Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine
SMILESCOC(CCN)CC1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1
InChIInChI=1S/C19H28ClN7OS/c1-28-13(2-6-21)10-12-4-8-27(9-5-12)15-11-25-19(18(23)26-15)29-14-3-7-24-17(22)16(14)20/h3,7,11-13H,2,4-6,8-10,21H2,1H3,(H2,22,24)(H2,23,26)
InChIKeyLQIBBFCFYUFCNC-UHFFFAOYSA-N
XLogP2.81
TPSA129.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.00
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

4-[5-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-3-methylpyrazin-2-yl]sulfanyl-3-chloropyridin-2-amine;methane
CID 161203675
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-2-methoxy-8-azaspiro[4.5]decan-4-amine
CID 123510946
8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123693552
6-[4-(aminomethyl)-3-methylpiperidin-1-yl]-3-[(3-chloro-2-cyclopropyl-4-pyridinyl)sulfanyl]pyrazin-2-amine
CID 164860834
3-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]-6-[(4R)-4-methyl-8-azaspiro[4.5]decan-8-yl]pyrazin-2-amine
CID 134401654
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-(3-cyclopropyl-8-azaspiro[4.5]dec-2-en-8-yl)pyrazin-2-amine
CID 163831275
(4S)-8-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-1-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 118247899
8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 123630889
(4R)-8-[6-amino-5-[(3-chloro-2-methoxy-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 118247922
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-4-methoxyspiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 155385295
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-6-chlorospiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 142433883
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]spiro[3,4-dihydro-2H-naphthalene-1,4'-piperidine]-2-amine
CID 142434017

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine (CID 123544511) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine is COC(CCN)CC1CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.
What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine?
The InChIKey is LQIBBFCFYUFCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN7OS/c1-28-13(2-6-21)10-12-4-8-27(9-5-12)15-11-25-19(18(23)26-15)29-14-3-7-24-17(22)16(14)20/h3,7,11-13H,2,4-6,8-10,21H2,1H3,(H2,22,24)(H2,23,26).
What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine?
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine has a molecular weight of 438.00 g/mol, XLogP of 2.81, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(4-amino-2-methoxybutyl)piperidin-1-yl]pyrazin-2-amine is sourced from PubChem (CID 123544511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).