4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine

C17H21ClN8S — CID 135388992

IUPAC4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine
SMILESCNc1nccc(Sc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c1Cl
InChIInChI=1S/C17H21ClN8S/c1-17(19)4-7-26(8-5-17)11-9-22-13-15(23-11)24-25-16(13)27-10-3-6-21-14(20-2)12(10)18/h3,6,9H,4-5,7-8,19H2,1-2H3,(H,20,21)(H,23,24,25)
InChIKeySLTHKZAHKPRTEB-UHFFFAOYSA-N
MW404.93 g/mol
LogP2.91
Rot. Bonds4

About 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine

4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine (PubChem CID 135388992) has the molecular formula C17H21ClN8S and a molecular weight of 404.93 g/mol. Its IUPAC name is 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine
PubChem CID135388992
Molecular FormulaC17H21ClN8S
Molecular Weight404.93 g/mol
Exact Mass404.13
IUPAC Name4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine
SMILESCNc1nccc(Sc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c1Cl
InChIInChI=1S/C17H21ClN8S/c1-17(19)4-7-26(8-5-17)11-9-22-13-15(23-11)24-25-16(13)27-10-3-6-21-14(20-2)12(10)18/h3,6,9H,4-5,7-8,19H2,1-2H3,(H,20,21)(H,23,24,25)
InChIKeySLTHKZAHKPRTEB-UHFFFAOYSA-N
XLogP2.91
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.93
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloro-N-methylpyridin-2-amine
CID 132166808
1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine
CID 134473735
1-(5-chloro-6-ethyl-2-pyrido[2,3-b]pyrazin-7-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylazetidin-3-amine
CID 71720125
4-N-[6-(4-amino-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazin-3-yl]-3-chloropyridine-2,4-diamine
CID 135388517
4-methyl-1-[3-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-amine
CID 134473777
(4R)-8-[3-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]-8-azaspiro[4.5]decan-4-amine
CID 135388182
[1-[3-(2-chlorophenyl)sulfanyl-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-fluoropiperidin-4-yl]methanamine
CID 135388232
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-fluoropyridin-2-amine
CID 142484626
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloropyridin-2-amine
CID 134474224
US10280171, Example 106
CID 132166751
US10280171, Example 111
CID 132166783
US10280171, Example 135
CID 132166848

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine?
The IUPAC name of 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine (CID 135388992) is 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine.
What is the SMILES notation for 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine?
The canonical SMILES for 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine is CNc1nccc(Sc2n[nH]c3nc(N4CCC(C)(N)CC4)cnc23)c1Cl.
What is the InChIKey of 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine?
The InChIKey is SLTHKZAHKPRTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN8S/c1-17(19)4-7-26(8-5-17)11-9-22-13-15(23-11)24-25-16(13)27-10-3-6-21-14(20-2)12(10)18/h3,6,9H,4-5,7-8,19H2,1-2H3,(H,20,21)(H,23,24,25).
What are the key properties of 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine?
4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine has a molecular weight of 404.93 g/mol, XLogP of 2.91, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-amino-4-methylpiperidin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-3-yl]sulfanyl]-3-chloro-N-methylpyridin-2-amine is sourced from PubChem (CID 135388992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).