3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine

C25H25ClN6S — CID 166735889

IUPAC3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine
SMILESCc1cc(N2CCC3(CC2)Cc2ccccc2C3)n2cnnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H25ClN6S/c1-16-12-20(31-10-7-25(8-11-31)13-17-4-2-3-5-18(17)14-25)32-15-29-30-24(32)22(16)33-19-6-9-28-23(27)21(19)26/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H2,27,28)
InChIKeyPVQOIIBDMKENNU-UHFFFAOYSA-N
MW477.04 g/mol
LogP5.20
Rot. Bonds3

About 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine

3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine (PubChem CID 166735889) has the molecular formula C25H25ClN6S and a molecular weight of 477.04 g/mol. Its IUPAC name is 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine
PubChem CID166735889
Molecular FormulaC25H25ClN6S
Molecular Weight477.04 g/mol
Exact Mass476.15
IUPAC Name3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine
SMILESCc1cc(N2CCC3(CC2)Cc2ccccc2C3)n2cnnc2c1Sc1ccnc(N)c1Cl
InChIInChI=1S/C25H25ClN6S/c1-16-12-20(31-10-7-25(8-11-31)13-17-4-2-3-5-18(17)14-25)32-15-29-30-24(32)22(16)33-19-6-9-28-23(27)21(19)26/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H2,27,28)
InChIKeyPVQOIIBDMKENNU-UHFFFAOYSA-N
XLogP5.20
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.04
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine with MolForge

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Related Compounds

1'-(8-bromo-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)spiro[1,3-dihydroindene-2,4'-piperidine]
CID 166735866
3-chloro-4-(5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-ylimidazo[1,2-c]pyrimidin-8-yl)sulfanylpyridin-2-amine
CID 146482706
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-7-methyl-5-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methanol
CID 166736113
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
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
(4S)-8-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-3-methyl-2-[(Z)-2-(methylideneamino)ethenyl]-8-azaspiro[4.5]dec-2-en-4-amine
CID 155322402
6-amino-5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-2-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-methylpyrimidin-4-one
CID 146537294
8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]imidazo[1,2-a]pyridine-7-carboxamide
CID 164743718
(3S,4S)-8-[5-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-6-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135257086
(4S)-1'-[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]-2-chlorospiro[4,6-dihydrocyclopenta[d][1,3]thiazole-5,4'-piperidine]-4-amine
CID 155184982
[8-[(2-amino-3-chloro-4-pyridinyl)sulfanyl]-5-[(1S)-1-aminospiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]imidazo[1,2-c]pyrimidin-7-yl]methanol
CID 147261923
1-[8-(2,3-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl]-4-methylpiperidin-4-amine
CID 148722082

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine (CID 166735889) is 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine is Cc1cc(N2CCC3(CC2)Cc2ccccc2C3)n2cnnc2c1Sc1ccnc(N)c1Cl.
What is the InChIKey of 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine?
The InChIKey is PVQOIIBDMKENNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6S/c1-16-12-20(31-10-7-25(8-11-31)13-17-4-2-3-5-18(17)14-25)32-15-29-30-24(32)22(16)33-19-6-9-28-23(27)21(19)26/h2-6,9,12,15H,7-8,10-11,13-14H2,1H3,(H2,27,28).
What are the key properties of 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine?
3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine has a molecular weight of 477.04 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(7-methyl-5-spiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 166735889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).