N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C23H19F3N6OS — CID 171730175

IUPACN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cc4c(s3)CN(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H19F3N6OS/c1-14-10-32(13-29-14)18-6-16(23(24,25)26)5-17(7-18)30-22(33)20-4-15-2-3-31(11-21(15)34-20)19-8-27-12-28-9-19/h4-10,12-13H,2-3,11H2,1H3,(H,30,33)
InChIKeyJOFWACSQYUOVKL-UHFFFAOYSA-N
MW484.51 g/mol
LogP4.87
Rot. Bonds4

About N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 171730175) has the molecular formula C23H19F3N6OS and a molecular weight of 484.51 g/mol. Its IUPAC name is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID171730175
Molecular FormulaC23H19F3N6OS
Molecular Weight484.51 g/mol
Exact Mass484.13
IUPAC NameN-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESCc1cn(-c2cc(NC(=O)c3cc4c(s3)CN(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1
InChIInChI=1S/C23H19F3N6OS/c1-14-10-32(13-29-14)18-6-16(23(24,25)26)5-17(7-18)30-22(33)20-4-15-2-3-31(11-21(15)34-20)19-8-27-12-28-9-19/h4-10,12-13H,2-3,11H2,1H3,(H,30,33)
InChIKeyJOFWACSQYUOVKL-UHFFFAOYSA-N
XLogP4.87
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 171730175) is N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is Cc1cn(-c2cc(NC(=O)c3cc4c(s3)CN(c3cncnc3)CC4)cc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is JOFWACSQYUOVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6OS/c1-14-10-32(13-29-14)18-6-16(23(24,25)26)5-17(7-18)30-22(33)20-4-15-2-3-31(11-21(15)34-20)19-8-27-12-28-9-19/h4-10,12-13H,2-3,11H2,1H3,(H,30,33).
What are the key properties of N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 484.51 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-6-pyrimidin-5-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 171730175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).