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

C25H29Cl3N12S2 — CID 158828138

IUPAC3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C16H22ClN7S.C9H7Cl2N5S/c1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);1-3H,(H2,12,14)(H2,13,16)
InChIKeyIWRYMSIVUAMBSC-UHFFFAOYSA-N
MW668.08 g/mol
LogP4.90
Rot. Bonds6

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

3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine (PubChem CID 158828138) has the molecular formula C25H29Cl3N12S2 and a molecular weight of 668.08 g/mol. Its IUPAC name is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine.

Molecular Properties

Compound Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine
PubChem CID158828138
Molecular FormulaC25H29Cl3N12S2
Molecular Weight668.08 g/mol
Exact Mass666.11
IUPAC Name3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine
SMILESCC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C16H22ClN7S.C9H7Cl2N5S/c1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);1-3H,(H2,12,14)(H2,13,16)
InChIKeyIWRYMSIVUAMBSC-UHFFFAOYSA-N
XLogP4.90
TPSA210.68 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.08
LogP ≤ 54.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

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

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Launch Full Analysis

Related Compounds

(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
(4R)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 124146374
US10336774, Example 77
CID 118238297
US10336774, Example 91
CID 118247712
US10336774, Example 92
CID 118247725
US10336774, Example 65
CID 118247766
US10301278, Example 48
CID 118249052
4-[2-[4-(Aminomethyl)-4-methylpiperidin-1-yl]pyrido[2,3-b]pyrazin-6-yl]sulfanyl-3-chloropyridin-2-amine
CID 146485650
US10301278, Example 43
CID 91824784
(4R)-8-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-8-azaspiro[4.5]decan-4-amine
CID 91824790
US10336774, Example 79
CID 118238344

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?
The IUPAC name of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine (CID 158828138) is 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine.
What is the SMILES notation for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?
The canonical SMILES for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine is CC1(CN)CCN(c2cnc(Sc3ccnc(N)c3Cl)c(N)n2)CC1.Nc1nc(Cl)cnc1Sc1ccnc(N)c1Cl.
What is the InChIKey of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?
The InChIKey is IWRYMSIVUAMBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN7S.C9H7Cl2N5S/c1-16(9-18)3-6-24(7-4-16)11-8-22-15(14(20)23-11)25-10-2-5-21-13(19)12(10)17;10-5-3-15-9(8(13)16-5)17-4-1-2-14-7(12)6(4)11/h2,5,8H,3-4,6-7,9,18H2,1H3,(H2,19,21)(H2,20,23);1-3H,(H2,12,14)(H2,13,16).
What are the key properties of 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine?
3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine has a molecular weight of 668.08 g/mol, XLogP of 4.90, 6 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-[4-(aminomethyl)-4-methylpiperidin-1-yl]pyrazin-2-amine;3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-chloropyrazin-2-amine is sourced from PubChem (CID 158828138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).