6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C20H21F3N6O2S — CID 165142866

IUPAC6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(c1cc(NC(=O)c2csc3c2CCN(Cc2cnc(N)nc2)C3)no1)C(F)(F)F
InChIInChI=1S/C20H21F3N6O2S/c1-19(2,20(21,22)23)15-5-16(28-31-15)27-17(30)13-10-32-14-9-29(4-3-12(13)14)8-11-6-25-18(24)26-7-11/h5-7,10H,3-4,8-9H2,1-2H3,(H2,24,25,26)(H,27,28,30)
InChIKeyAETOWUJWNZYQAU-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.76
Rot. Bonds5

About 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 165142866) has the molecular formula C20H21F3N6O2S and a molecular weight of 466.49 g/mol. Its IUPAC name is 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID165142866
Molecular FormulaC20H21F3N6O2S
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC Name6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(c1cc(NC(=O)c2csc3c2CCN(Cc2cnc(N)nc2)C3)no1)C(F)(F)F
InChIInChI=1S/C20H21F3N6O2S/c1-19(2,20(21,22)23)15-5-16(28-31-15)27-17(30)13-10-32-14-9-29(4-3-12(13)14)8-11-6-25-18(24)26-7-11/h5-7,10H,3-4,8-9H2,1-2H3,(H2,24,25,26)(H,27,28,30)
InChIKeyAETOWUJWNZYQAU-UHFFFAOYSA-N
XLogP3.76
TPSA110.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 165142866) is 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)(c1cc(NC(=O)c2csc3c2CCN(Cc2cnc(N)nc2)C3)no1)C(F)(F)F.
What is the InChIKey of 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is AETOWUJWNZYQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2S/c1-19(2,20(21,22)23)15-5-16(28-31-15)27-17(30)13-10-32-14-9-29(4-3-12(13)14)8-11-6-25-18(24)26-7-11/h5-7,10H,3-4,8-9H2,1-2H3,(H2,24,25,26)(H,27,28,30).
What are the key properties of 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 466.49 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165142866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).