3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine

C17H20ClN7S2 — CID 142403885

IUPAC3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine
SMILESCNC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1
InChIInChI=1S/C17H20ClN7S2/c1-17(20-2)4-7-25(8-5-17)16-14-13(23-27-24-14)11(9-22-16)26-10-3-6-21-15(19)12(10)18/h3,6,9,20H,4-5,7-8H2,1-2H3,(H2,19,21)
InChIKeyRTYOLSAGIZHWLG-UHFFFAOYSA-N
MW421.98 g/mol
LogP3.45
Rot. Bonds4

About 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine

3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine (PubChem CID 142403885) has the molecular formula C17H20ClN7S2 and a molecular weight of 421.98 g/mol. Its IUPAC name is 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine
PubChem CID142403885
Molecular FormulaC17H20ClN7S2
Molecular Weight421.98 g/mol
Exact Mass421.09
IUPAC Name3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine
SMILESCNC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1
InChIInChI=1S/C17H20ClN7S2/c1-17(20-2)4-7-25(8-5-17)16-14-13(23-27-24-14)11(9-22-16)26-10-3-6-21-15(19)12(10)18/h3,6,9,20H,4-5,7-8H2,1-2H3,(H2,19,21)
InChIKeyRTYOLSAGIZHWLG-UHFFFAOYSA-N
XLogP3.45
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.98
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine with MolForge

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Related Compounds

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
6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazine-2-carbonitrile
CID 154662889
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
1-[6-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]pyrazin-2-yl]-2,2,2-trifluoroethanol
CID 154662904
1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazin-2-yl]-5-methylspiro[7H-cyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 142433936
tert-butyl N-[1-[3-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]imidazo[1,5-a]pyrazin-8-yl]-4-methylpiperidin-4-yl]carbamate
CID 156751753
(3S,4S)-8-[7-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]pyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135257334
3-chloro-4-(5-spiro[5,7-dihydrocyclopenta[b]pyrazine-6,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 155129621
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-fluoropyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;hydrochloride
CID 162352729
3-chloro-4-[(3-spiro[4,6-dihydro-1H-cyclopenta[d]pyrazole-5,4'-piperidine]-1'-yl-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-8-yl)sulfanyl]pyridin-2-amine
CID 167048089
(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-bromopyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine;(1S)-1'-[6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-3-methylpyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
CID 163936991
1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2,6,11-triazatricyclo[5.3.1.04,11]undeca-1,3,5,7,9-pentaen-3-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1,6-diamine
CID 167048193

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine?
The IUPAC name of 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine (CID 142403885) is 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine is CNC1(C)CCN(c2ncc(Sc3ccnc(N)c3Cl)c3nsnc23)CC1.
What is the InChIKey of 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine?
The InChIKey is RTYOLSAGIZHWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7S2/c1-17(20-2)4-7-25(8-5-17)16-14-13(23-27-24-14)11(9-22-16)26-10-3-6-21-15(19)12(10)18/h3,6,9,20H,4-5,7-8H2,1-2H3,(H2,19,21).
What are the key properties of 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine?
3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine has a molecular weight of 421.98 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[4-[4-methyl-4-(methylamino)piperidin-1-yl]-[1,2,5]thiadiazolo[3,4-c]pyridin-7-yl]sulfanyl]pyridin-2-amine is sourced from PubChem (CID 142403885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).