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]pyrazol-4-yl]acetamide

C20H20F3N9OS — CID 58334299

IUPACN-[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]pyrazol-4-yl]acetamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(NC(C)=O)cn3)nc2s1
InChIInChI=1S/C20H20F3N9OS/c1-3-4-13-7-14-16(30-5-6-31-15(10-30)28-29-18(31)20(21,22)23)26-19(27-17(14)34-13)32-9-12(8-24-32)25-11(2)33/h7-9H,3-6,10H2,1-2H3,(H,25,33)
InChIKeyYHYBGPAVQAXNJP-UHFFFAOYSA-N
MW491.50 g/mol
LogP3.42
Rot. Bonds5

About 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]pyrazol-4-yl]acetamide

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]pyrazol-4-yl]acetamide (PubChem CID 58334299) has the molecular formula C20H20F3N9OS and a molecular weight of 491.50 g/mol. Its IUPAC name is 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]pyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[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]pyrazol-4-yl]acetamide
PubChem CID58334299
Molecular FormulaC20H20F3N9OS
Molecular Weight491.50 g/mol
Exact Mass491.15
IUPAC NameN-[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]pyrazol-4-yl]acetamide
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(NC(C)=O)cn3)nc2s1
InChIInChI=1S/C20H20F3N9OS/c1-3-4-13-7-14-16(30-5-6-31-15(10-30)28-29-18(31)20(21,22)23)26-19(27-17(14)34-13)32-9-12(8-24-32)25-11(2)33/h7-9H,3-6,10H2,1-2H3,(H,25,33)
InChIKeyYHYBGPAVQAXNJP-UHFFFAOYSA-N
XLogP3.42
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 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]pyrazol-4-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]pyrazol-4-yl]acetamide?
The IUPAC name of 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]pyrazol-4-yl]acetamide (CID 58334299) is 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]pyrazol-4-yl]acetamide.
What is the SMILES notation for 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]pyrazol-4-yl]acetamide?
The canonical SMILES for 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]pyrazol-4-yl]acetamide is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(-n3cc(NC(C)=O)cn3)nc2s1.
What is the InChIKey of 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]pyrazol-4-yl]acetamide?
The InChIKey is YHYBGPAVQAXNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N9OS/c1-3-4-13-7-14-16(30-5-6-31-15(10-30)28-29-18(31)20(21,22)23)26-19(27-17(14)34-13)32-9-12(8-24-32)25-11(2)33/h7-9H,3-6,10H2,1-2H3,(H,25,33).
What are the key properties of 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]pyrazol-4-yl]acetamide?
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]pyrazol-4-yl]acetamide has a molecular weight of 491.50 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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]pyrazol-4-yl]acetamide is sourced from PubChem (CID 58334299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).