3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

C25H29F3N6O — CID 142493262

IUPAC3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1c(CN2CCC(n3c(C(=O)N(C)C)cnc3CCC(F)(F)F)CC2)ccc2[nH]c(C#N)cc12
InChIInChI=1S/C25H29F3N6O/c1-16-17(4-5-21-20(16)12-18(13-29)31-21)15-33-10-7-19(8-11-33)34-22(24(35)32(2)3)14-30-23(34)6-9-25(26,27)28/h4-5,12,14,19,31H,6-11,15H2,1-3H3
InChIKeyBUFMYZUQWZNVKA-UHFFFAOYSA-N
MW486.54 g/mol
LogP4.58
Rot. Bonds6

About 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide

3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (PubChem CID 142493262) has the molecular formula C25H29F3N6O and a molecular weight of 486.54 g/mol. Its IUPAC name is 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
PubChem CID142493262
Molecular FormulaC25H29F3N6O
Molecular Weight486.54 g/mol
Exact Mass486.24
IUPAC Name3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide
SMILESCc1c(CN2CCC(n3c(C(=O)N(C)C)cnc3CCC(F)(F)F)CC2)ccc2[nH]c(C#N)cc12
InChIInChI=1S/C25H29F3N6O/c1-16-17(4-5-21-20(16)12-18(13-29)31-21)15-33-10-7-19(8-11-33)34-22(24(35)32(2)3)14-30-23(34)6-9-25(26,27)28/h4-5,12,14,19,31H,6-11,15H2,1-3H3
InChIKeyBUFMYZUQWZNVKA-UHFFFAOYSA-N
XLogP4.58
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[4-[3-(4-fluorophenyl)-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
CID 134347717
4-methyl-5-[[4-[[5-methyl-2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
CID 130440657
4-methyl-5-[[4-[[2-(2,2,2-trifluoroethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-yl]amino]piperidin-1-yl]methyl]-1H-indole-2-carbonitrile
CID 134442882
2-[[4-[[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]amino]pyrimidin-5-yl]amino]-N-ethyl-5-fluoro-N-propan-2-ylbenzamide
CID 142493256
4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)quinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]-1H-indole-2-carbonitrile;hydrochloride
CID 175892790
5-[[4-[5-[2-[dimethylamino(hydroxy)methyl]-4-fluorophenyl]pyrrolo[3,2-d]pyrimidin-7-yl]piperidin-1-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
CID 170108542
N-[N-[3-[[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]iminomethyl]-5-(2,2,2-trifluoroethyl)thiophen-2-yl]-N'-methylcarbamimidoyl]formamide
CID 167084604
4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(3,3,3-trifluoropropyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 142493195
5-[[2-(6-ethylquinazolin-4-yl)-2,7-diazaspiro[4.4]nonan-7-yl]methyl]-4-methyl-1H-indole-2-carbonitrile
CID 159466009
5-[[4-[[6-(fluoromethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-4-methyl-1-[2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]ethyl]indole-2-carbonitrile
CID 170062352
2-[1-[(2S)-1-[2-cyano-4-methyl-5-[[4-[[2-methyl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]propan-2-yl]piperidin-4-yl]-N,N-dimethylacetamide
CID 130440701
4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propyl]indole-2-carbonitrile
CID 138497531

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The IUPAC name of 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide (CID 142493262) is 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The canonical SMILES for 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is Cc1c(CN2CCC(n3c(C(=O)N(C)C)cnc3CCC(F)(F)F)CC2)ccc2[nH]c(C#N)cc12.
What is the InChIKey of 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
The InChIKey is BUFMYZUQWZNVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N6O/c1-16-17(4-5-21-20(16)12-18(13-29)31-21)15-33-10-7-19(8-11-33)34-22(24(35)32(2)3)14-30-23(34)6-9-25(26,27)28/h4-5,12,14,19,31H,6-11,15H2,1-3H3.
What are the key properties of 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide?
3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide has a molecular weight of 486.54 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-cyano-4-methyl-1H-indol-5-yl)methyl]piperidin-4-yl]-N,N-dimethyl-2-(3,3,3-trifluoropropyl)imidazole-4-carboxamide is sourced from PubChem (CID 142493262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).