[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol

C18H24ClN5OS — CID 135240679

IUPAC[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol
SMILESCc1cc(N2CCC(C)(N)CC2)c(CO)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C18H24ClN5OS/c1-11-9-13(24-7-4-18(2,21)5-8-24)12(10-25)23-17(11)26-14-3-6-22-16(20)15(14)19/h3,6,9,25H,4-5,7-8,10,21H2,1-2H3,(H2,20,22)
InChIKeyPRAHVVSVXAHJHI-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.98
Rot. Bonds4

About [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol

[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol (PubChem CID 135240679) has the molecular formula C18H24ClN5OS and a molecular weight of 393.94 g/mol. Its IUPAC name is [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol
PubChem CID135240679
Molecular FormulaC18H24ClN5OS
Molecular Weight393.94 g/mol
Exact Mass393.14
IUPAC Name[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol
SMILESCc1cc(N2CCC(C)(N)CC2)c(CO)nc1Sc1ccnc(N)c1Cl
InChIInChI=1S/C18H24ClN5OS/c1-11-9-13(24-7-4-18(2,21)5-8-24)12(10-25)23-17(11)26-14-3-6-22-16(20)15(14)19/h3,6,9,25H,4-5,7-8,10,21H2,1-2H3,(H2,20,22)
InChIKeyPRAHVVSVXAHJHI-UHFFFAOYSA-N
XLogP2.98
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-6-(hydroxymethyl)pyridin-3-ol
CID 135255045
methyl 6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-methyl-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-2-carboxylate
CID 135240548
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-2-pyridinyl]methanol
CID 138544756
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(3S,4S)-4-amino-3-iodo-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-methylpyrazin-2-yl]methanol
CID 155323383
[4-amino-6-[(3-amino-2-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]methanol
CID 162481998
4-[[5-(4-amino-4-methylpiperidin-1-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]sulfanyl]-3-chloropyridin-2-amine
CID 139427450
1-[1-[5-[(2,3-dichloro-4-pyridinyl)sulfanyl]-3-(hydroxymethyl)-6-methylpyrazin-2-yl]-4-methylpiperidin-4-yl]ethyl carbamate
CID 175367946
4-[5-(4-amino-4-methylpiperidin-1-yl)-7-methylimidazo[1,2-a]pyridin-8-yl]-3-chloropyridin-2-amine
CID 164743690
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(4R)-4-amino-2-fluoro-8-azaspiro[4.5]decan-8-yl]pyrazin-2-yl]methanol
CID 162492921
[3-[(4R)-4-amino-8-azaspiro[4.5]decan-8-yl]-6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]methanol
CID 162492945
[3-[4-(2-aminophenyl)piperazin-1-yl]-6-[(3-chloro-2-morpholin-4-yl-4-pyridinyl)sulfanyl]-5-methylpyrazin-2-yl]methanol
CID 147801701
[4-amino-1-[6-amino-5-[(2,3-dichloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]piperidin-4-yl]methanol
CID 118239415

Frequently Asked Questions

What is the IUPAC name of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol?
The IUPAC name of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol (CID 135240679) is [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol.
What is the SMILES notation for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol?
The canonical SMILES for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol is Cc1cc(N2CCC(C)(N)CC2)c(CO)nc1Sc1ccnc(N)c1Cl.
What is the InChIKey of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol?
The InChIKey is PRAHVVSVXAHJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5OS/c1-11-9-13(24-7-4-18(2,21)5-8-24)12(10-25)23-17(11)26-14-3-6-22-16(20)15(14)19/h3,6,9,25H,4-5,7-8,10,21H2,1-2H3,(H2,20,22).
What are the key properties of [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol?
[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol has a molecular weight of 393.94 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-(4-amino-4-methylpiperidin-1-yl)-5-methyl-2-pyridinyl]methanol is sourced from PubChem (CID 135240679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).