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

C29H38N6O — CID 154639518

IUPAC2-[[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
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCC(=O)N(C)C)CC4)cc3c2C(C)C)cn2cnnc2c1C
InChIInChI=1S/C29H38N6O/c1-17(2)27-23-13-21(20-7-10-22(11-8-20)30-14-26(36)34(5)6)9-12-25(23)32-28(27)24-15-35-16-31-33-29(35)19(4)18(24)3/h9,12-13,15-17,20,22,30,32H,7-8,10-11,14H2,1-6H3
InChIKeyCVZDERDJJCBGKB-UHFFFAOYSA-N
MW486.66 g/mol
LogP5.32
Rot. Bonds6

About 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

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 (PubChem CID 154639518) has the molecular formula C29H38N6O and a molecular weight of 486.66 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID154639518
Molecular FormulaC29H38N6O
Molecular Weight486.66 g/mol
Exact Mass486.31
IUPAC Name2-[[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
SMILESCc1c(-c2[nH]c3ccc(C4CCC(NCC(=O)N(C)C)CC4)cc3c2C(C)C)cn2cnnc2c1C
InChIInChI=1S/C29H38N6O/c1-17(2)27-23-13-21(20-7-10-22(11-8-20)30-14-26(36)34(5)6)9-12-25(23)32-28(27)24-15-35-16-31-33-29(35)19(4)18(24)3/h9,12-13,15-17,20,22,30,32H,7-8,10-11,14H2,1-6H3
InChIKeyCVZDERDJJCBGKB-UHFFFAOYSA-N
XLogP5.32
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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
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
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
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
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1-ethyl-3,4-dimethylpyridin-2-one
CID 137464389
N,N-dimethyl-2-[4-[2-(7-methylimidazo[1,2-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]acetamide
CID 142594007
2-[4-[2-(5-cyano-1,4-dimethyl-6-oxo-3-pyridinyl)-3-propan-2-yl-1H-indol-5-yl]piperidin-1-yl]-N,N-dimethylacetamide
CID 137464429
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
5-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]-1,4-dimethyl-2-oxopyridine-3-carbonitrile
CID 137464288

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(-c2[nH]c3ccc(C4CCC(NCC(=O)N(C)C)CC4)cc3c2C(C)C)cn2cnnc2c1C.
What is the InChIKey of 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?
The InChIKey is CVZDERDJJCBGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N6O/c1-17(2)27-23-13-21(20-7-10-22(11-8-20)30-14-26(36)34(5)6)9-12-25(23)32-28(27)24-15-35-16-31-33-29(35)19(4)18(24)3/h9,12-13,15-17,20,22,30,32H,7-8,10-11,14H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 486.66 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154639518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).