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

C24H31F3N8OS — CID 67230474

IUPAC2-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
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(NC(=O)C(C)C)C3)nc2s1
InChIInChI=1S/C24H31F3N8OS/c1-4-6-16-11-17-19(33-9-10-35-18(13-33)31-32-22(35)24(25,26)27)29-23(30-21(17)37-16)34-8-5-7-15(12-34)28-20(36)14(2)3/h11,14-15H,4-10,12-13H2,1-3H3,(H,28,36)
InChIKeyLPRNEMGTIRPGLE-UHFFFAOYSA-N
MW536.63 g/mol
LogP4.02
Rot. Bonds6

About 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

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 (PubChem CID 67230474) has the molecular formula C24H31F3N8OS and a molecular weight of 536.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID67230474
Molecular FormulaC24H31F3N8OS
Molecular Weight536.63 g/mol
Exact Mass536.23
IUPAC Name2-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
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(NC(=O)C(C)C)C3)nc2s1
InChIInChI=1S/C24H31F3N8OS/c1-4-6-16-11-17-19(33-9-10-35-18(13-33)31-32-22(35)24(25,26)27)29-23(30-21(17)37-16)34-8-5-7-15(12-34)28-20(36)14(2)3/h11,14-15H,4-10,12-13H2,1-3H3,(H,28,36)
InChIKeyLPRNEMGTIRPGLE-UHFFFAOYSA-N
XLogP4.02
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.63
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC(NC(=O)C(C)C)C3)nc2s1.
What is the InChIKey of 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?
The InChIKey is LPRNEMGTIRPGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N8OS/c1-4-6-16-11-17-19(33-9-10-35-18(13-33)31-32-22(35)24(25,26)27)29-23(30-21(17)37-16)34-8-5-7-15(12-34)28-20(36)14(2)3/h11,14-15H,4-10,12-13H2,1-3H3,(H,28,36).
What are the key properties of 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?
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 has a molecular weight of 536.63 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 67230474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).