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

C20H24F3N7S — CID 58333957

IUPACN-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
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NC3CCCC3)nc2s1
InChIInChI=1S/C20H24F3N7S/c1-2-5-13-10-14-16(25-19(26-17(14)31-13)24-12-6-3-4-7-12)29-8-9-30-15(11-29)27-28-18(30)20(21,22)23/h10,12H,2-9,11H2,1H3,(H,24,25,26)
InChIKeyIBTGJFMXOZOMDU-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.63
Rot. Bonds5

About 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

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 (PubChem CID 58333957) has the molecular formula C20H24F3N7S and a molecular weight of 451.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID58333957
Molecular FormulaC20H24F3N7S
Molecular Weight451.52 g/mol
Exact Mass451.18
IUPAC NameN-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
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NC3CCCC3)nc2s1
InChIInChI=1S/C20H24F3N7S/c1-2-5-13-10-14-16(25-19(26-17(14)31-13)24-12-6-3-4-7-12)29-8-9-30-15(11-29)27-28-18(30)20(21,22)23/h10,12H,2-9,11H2,1H3,(H,24,25,26)
InChIKeyIBTGJFMXOZOMDU-UHFFFAOYSA-N
XLogP4.63
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(NC3CCCC3)nc2s1.
What is the InChIKey of 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?
The InChIKey is IBTGJFMXOZOMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N7S/c1-2-5-13-10-14-16(25-19(26-17(14)31-13)24-12-6-3-4-7-12)29-8-9-30-15(11-29)27-28-18(30)20(21,22)23/h10,12H,2-9,11H2,1H3,(H,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 451.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58333957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).