4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide

C25H26N8OS — CID 135887265

IUPAC4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)ncnn23)CC1
InChIInChI=1S/C25H26N8OS/c1-32(2)25(34)15-8-6-14(7-9-15)23-31-20(21-22(26)28-13-29-33(21)23)18-12-16-4-3-5-17(19(16)30-18)24-27-10-11-35-24/h3-5,10-15,30H,6-9H2,1-2H3,(H2,26,28,29)
InChIKeyGEVADTLSJRTWBT-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.34
Rot. Bonds4

About 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide

4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 135887265) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID135887265
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)ncnn23)CC1
InChIInChI=1S/C25H26N8OS/c1-32(2)25(34)15-8-6-14(7-9-15)23-31-20(21-22(26)28-13-29-33(21)23)18-12-16-4-3-5-17(19(16)30-18)24-27-10-11-35-24/h3-5,10-15,30H,6-9H2,1-2H3,(H2,26,28,29)
InChIKeyGEVADTLSJRTWBT-UHFFFAOYSA-N
XLogP4.34
TPSA118.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

(3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-methylsulfanyl-1-[2-oxo-2-[4-(5-pyrimidin-2-yl-1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyrrolidine-3-carboxamide
CID 57685722
N-[(1S)-1-[5-(1H-indazol-5-yl)-1H-imidazol-2-yl]-7-(methylamino)-7-oxoheptyl]-1,3-thiazole-5-carboxamide
CID 74221755
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-2-(trifluoromethyl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrazolo[3,4-b]pyridin-2-ylethanone
CID 89726264
1-[(2R)-4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]-2-methylpiperazin-1-yl]-2-pyrazolo[5,4-b]pyridin-1-ylethanone
CID 89726576
3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136643054
5-(2,3-dimethylimidazol-4-yl)-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
CID 139431432
6-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 6411852
1,8-Dimethyl-5-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3-thiophen-2-yl-6,8-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-7-one
CID 10096132
2-Phenyl-1-[4-[4-(1,3-thiazol-2-ylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53322268
2-phenyl-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)acetamide
CID 127036561
1-[4-[4-(1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-(7-methylindol-1-yl)ethanone
CID 71678978
N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-2-ylmethyl)-1H-indole-2-carboxamide
CID 72188339

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide (CID 135887265) is 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)ncnn23)CC1.
What is the InChIKey of 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is GEVADTLSJRTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS/c1-32(2)25(34)15-8-6-14(7-9-15)23-31-20(21-22(26)28-13-29-33(21)23)18-12-16-4-3-5-17(19(16)30-18)24-27-10-11-35-24/h3-5,10-15,30H,6-9H2,1-2H3,(H2,26,28,29).
What are the key properties of 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 4.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-5-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 135887265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).