2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide

C29H36N6O — CID 154639603

IUPAC2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2CC(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4c3)CC2C1
InChIInChI=1S/C29H36N6O/c1-16(2)27-23-10-19(20-8-21-11-34(12-22(21)9-20)14-26(36)30-5)6-7-25(23)33-28(27)24-13-35-29(31-15-32-35)18(4)17(24)3/h6-7,10,13,15-16,20-22,33H,8-9,11-12,14H2,1-5H3,(H,30,36)
InChIKeyQKADUGXDWCKYMA-UHFFFAOYSA-N
MW484.65 g/mol
LogP4.79
Rot. Bonds5

About 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide

2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide (PubChem CID 154639603) has the molecular formula C29H36N6O and a molecular weight of 484.65 g/mol. Its IUPAC name is 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide
PubChem CID154639603
Molecular FormulaC29H36N6O
Molecular Weight484.65 g/mol
Exact Mass484.30
IUPAC Name2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CC2CC(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4c3)CC2C1
InChIInChI=1S/C29H36N6O/c1-16(2)27-23-10-19(20-8-21-11-34(12-22(21)9-20)14-26(36)30-5)6-7-25(23)33-28(27)24-13-35-29(31-15-32-35)18(4)17(24)3/h6-7,10,13,15-16,20-22,33H,8-9,11-12,14H2,1-5H3,(H,30,36)
InChIKeyQKADUGXDWCKYMA-UHFFFAOYSA-N
XLogP4.79
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide with MolForge

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Related Compounds

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
1-[3-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-2-(methylamino)ethanone
CID 154639455
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
2-[4-[2-(8-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-(1-methylcyclobutyl)acetamide
CID 171439835
N-methyl-2-[4-[3-propan-2-yl-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594622
2-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide;oxo-bis(phenylmethoxy)phosphanium
CID 164998162
N-methyl-3-[4-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]cyclohexyl]propanamide
CID 159935197
7-ethyl-8-methyl-6-[5-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 145431932
2-[4-[2-(5-methoxy-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N-methylacetamide
CID 137464431
3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
CID 155142382
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
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-[4-[2-(11-oxa-3,5,6-triazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraen-8-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]ethanone
CID 170760484

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide?
The IUPAC name of 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide (CID 154639603) is 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide is CNC(=O)CN1CC2CC(c3ccc4[nH]c(-c5cn6ncnc6c(C)c5C)c(C(C)C)c4c3)CC2C1.
What is the InChIKey of 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide?
The InChIKey is QKADUGXDWCKYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O/c1-16(2)27-23-10-19(20-8-21-11-34(12-22(21)9-20)14-26(36)30-5)6-7-25(23)33-28(27)24-13-35-29(31-15-32-35)18(4)17(24)3/h6-7,10,13,15-16,20-22,33H,8-9,11-12,14H2,1-5H3,(H,30,36).
What are the key properties of 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide?
2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide has a molecular weight of 484.65 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-N-methylacetamide is sourced from PubChem (CID 154639603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).