6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine

C29H39N5S — CID 167082328

IUPAC6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCSCCN1C(C)CC(c2ccc3[nH]c(-c4cn5cnnc5c(C)c4C)c(C(C)C)c3c2)CC1C
InChIInChI=1S/C29H39N5S/c1-17(2)27-24-14-22(23-12-18(3)34(10-11-35-7)19(4)13-23)8-9-26(24)31-28(27)25-15-33-16-30-32-29(33)21(6)20(25)5/h8-9,14-19,23,31H,10-13H2,1-7H3
InChIKeySULGSWNSSSYMAV-UHFFFAOYSA-N
MW489.73 g/mol
LogP6.94
Rot. Bonds6

About 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine

6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 167082328) has the molecular formula C29H39N5S and a molecular weight of 489.73 g/mol. Its IUPAC name is 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID167082328
Molecular FormulaC29H39N5S
Molecular Weight489.73 g/mol
Exact Mass489.29
IUPAC Name6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCSCCN1C(C)CC(c2ccc3[nH]c(-c4cn5cnnc5c(C)c4C)c(C(C)C)c3c2)CC1C
InChIInChI=1S/C29H39N5S/c1-17(2)27-24-14-22(23-12-18(3)34(10-11-35-7)19(4)13-23)8-9-26(24)31-28(27)25-15-33-16-30-32-29(33)21(6)20(25)5/h8-9,14-19,23,31H,10-13H2,1-7H3
InChIKeySULGSWNSSSYMAV-UHFFFAOYSA-N
XLogP6.94
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.73
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

6-[5-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 137472581
6-[5-[1-(isocyanomethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine
CID 155642634
7,8-dimethyl-6-[5-[(1R,5S)-8-(oxetan-3-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137472586
2-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidin-1-yl]-N,N-dimethylacetamide
CID 154639571
8-methyl-6-[5-[1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 167082320
2-[[4-[2-(7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]amino]-N,N-dimethylacetamide
CID 154639518
2-[4-[2-(8-chloro-7-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetonitrile
CID 137464085
8-chloro-7-methyl-6-[5-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137464195
3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclobutan-1-amine
CID 154639415
6-[5-(azetidin-3-yl)-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
CID 154639610
2-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidin-1-yl]-N,N-dimethylethanamine
CID 155226842
1,3,4-trimethyl-5-[5-[4-(oxetan-3-ylmethyl)cyclohexyl]-3-propan-2-yl-1H-indol-2-yl]pyridin-2-one
CID 160614655

Frequently Asked Questions

What is the IUPAC name of 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine (CID 167082328) is 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine is CSCCN1C(C)CC(c2ccc3[nH]c(-c4cn5cnnc5c(C)c4C)c(C(C)C)c3c2)CC1C.
What is the InChIKey of 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SULGSWNSSSYMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5S/c1-17(2)27-24-14-22(23-12-18(3)34(10-11-35-7)19(4)13-23)8-9-26(24)31-28(27)25-15-33-16-30-32-29(33)21(6)20(25)5/h8-9,14-19,23,31H,10-13H2,1-7H3.
What are the key properties of 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine?
6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 489.73 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2,6-dimethyl-1-(2-methylsulfanylethyl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-7,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 167082328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).