N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide

C20H23F3N8OS — CID 90845215

IUPACN-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)NCC/C=N/C)nc2s1
InChIInChI=1S/C20H23F3N8OS/c1-3-5-12-10-13-16(26-15(27-18(13)33-12)17(32)25-7-4-6-24-2)30-8-9-31-14(11-30)28-29-19(31)20(21,22)23/h6,10H,3-5,7-9,11H2,1-2H3,(H,25,32)/b24-6+
InChIKeyLZAWNGIDNJIACO-GFXGDVFHSA-N
MW480.52 g/mol
LogP3.09
Rot. Bonds7

About N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide

N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide (PubChem CID 90845215) has the molecular formula C20H23F3N8OS and a molecular weight of 480.52 g/mol. Its IUPAC name is N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide
PubChem CID90845215
Molecular FormulaC20H23F3N8OS
Molecular Weight480.52 g/mol
Exact Mass480.17
IUPAC NameN-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)NCC/C=N/C)nc2s1
InChIInChI=1S/C20H23F3N8OS/c1-3-5-12-10-13-16(26-15(27-18(13)33-12)17(32)25-7-4-6-24-2)30-8-9-31-14(11-30)28-29-19(31)20(21,22)23/h6,10H,3-5,7-9,11H2,1-2H3,(H,25,32)/b24-6+
InChIKeyLZAWNGIDNJIACO-GFXGDVFHSA-N
XLogP3.09
TPSA101.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide with MolForge

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Related Compounds

3-[[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carbonyl]amino]propanoic acid
CID 58333751
ethyl 3-oxo-3-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carbonyl]hydrazinyl]propanoate
CID 58333867
1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carbonyl]piperidine-3-carboxylic acid
CID 58334020
2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]-1,3-thiazole-4-carboxylic acid
CID 58334038
2-methyl-N-[1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]piperidin-3-yl]propanamide
CID 67230474
N-[[(3R)-1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-3-yl]methyl]acetamide
CID 58333887
N-methylbutanamide;6-propyl-2-pyrrolidin-1-yl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine
CID 143953349
N-cyclopentyl-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
CID 58333957
N-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethyl]pyridine-2-carboxamide
CID 58334011
(3S)-N-(2-aminoethyl)-1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 58333971
N-(azetidin-3-yl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-amine
CID 58333859
tert-butyl N-[[(3S)-1-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]pyrrolidin-3-yl]methyl]carbamate
CID 58333748

Frequently Asked Questions

What is the IUPAC name of N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide (CID 90845215) is N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(C(=O)NCC/C=N/C)nc2s1.
What is the InChIKey of N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is LZAWNGIDNJIACO-GFXGDVFHSA-N. The full InChI is InChI=1S/C20H23F3N8OS/c1-3-5-12-10-13-16(26-15(27-18(13)33-12)17(32)25-7-4-6-24-2)30-8-9-31-14(11-30)28-29-19(31)20(21,22)23/h6,10H,3-5,7-9,11H2,1-2H3,(H,25,32)/b24-6+.
What are the key properties of N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide?
N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 480.52 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyliminopropyl)-6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 90845215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).