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

C24H33F3N8OS — CID 143953349

IUPACN-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
SMILESCCCC(=O)NC.CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC3)nc2s1
InChIInChI=1S/C19H22F3N7S.C5H11NO/c1-2-5-12-10-13-15(23-18(24-16(13)30-12)27-6-3-4-7-27)28-8-9-29-14(11-28)25-26-17(29)19(20,21)22;1-3-4-5(7)6-2/h10H,2-9,11H2,1H3;3-4H2,1-2H3,(H,6,7)
InChIKeyLDIZYOUKRNWLNG-UHFFFAOYSA-N
MW538.64 g/mol
LogP4.41
Rot. Bonds6

About 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

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 (PubChem CID 143953349) has the molecular formula C24H33F3N8OS and a molecular weight of 538.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID143953349
Molecular FormulaC24H33F3N8OS
Molecular Weight538.64 g/mol
Exact Mass538.25
IUPAC NameN-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
SMILESCCCC(=O)NC.CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC3)nc2s1
InChIInChI=1S/C19H22F3N7S.C5H11NO/c1-2-5-12-10-13-15(23-18(24-16(13)30-12)27-6-3-4-7-27)28-8-9-29-14(11-28)25-26-17(29)19(20,21)22;1-3-4-5(7)6-2/h10H,2-9,11H2,1H3;3-4H2,1-2H3,(H,6,7)
InChIKeyLDIZYOUKRNWLNG-UHFFFAOYSA-N
XLogP4.41
TPSA92.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.64
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC(=O)NC.CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(N3CCCC3)nc2s1.
What is the InChIKey of 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?
The InChIKey is LDIZYOUKRNWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N7S.C5H11NO/c1-2-5-12-10-13-15(23-18(24-16(13)30-12)27-6-3-4-7-27)28-8-9-29-14(11-28)25-26-17(29)19(20,21)22;1-3-4-5(7)6-2/h10H,2-9,11H2,1H3;3-4H2,1-2H3,(H,6,7).
What are the key properties of 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?
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 has a molecular weight of 538.64 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 143953349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).