N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C22H24N6O2S — CID 172516937

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc3c2CCN(Cc2cnc4[nH]ncc4c2)C3)no1
InChIInChI=1S/C22H24N6O2S/c1-22(2,3)18-7-19(27-30-18)25-21(29)16-12-31-17-11-28(5-4-15(16)17)10-13-6-14-9-24-26-20(14)23-8-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24,26)(H,25,27,29)
InChIKeySDNFAPLMGIGLPJ-UHFFFAOYSA-N
MW436.54 g/mol
LogP4.12
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 172516937) has the molecular formula C22H24N6O2S and a molecular weight of 436.54 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID172516937
Molecular FormulaC22H24N6O2S
Molecular Weight436.54 g/mol
Exact Mass436.17
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)c2csc3c2CCN(Cc2cnc4[nH]ncc4c2)C3)no1
InChIInChI=1S/C22H24N6O2S/c1-22(2,3)18-7-19(27-30-18)25-21(29)16-12-31-17-11-28(5-4-15(16)17)10-13-6-14-9-24-26-20(14)23-8-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24,26)(H,25,27,29)
InChIKeySDNFAPLMGIGLPJ-UHFFFAOYSA-N
XLogP4.12
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

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
6-[(2-aminopyrimidin-5-yl)methyl]-N-[3-(1,1-difluoroethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142840
N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-[[2-(methylamino)pyrimidin-5-yl]methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142953
6-[(2-aminopyrimidin-5-yl)methyl]-N-[5-(trifluoromethyl)-3-pyridinyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 171730169
6-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165143290
N-[(2R)-1-amino-1-oxopropan-2-yl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118793609
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118780245
N-cyclopentyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118781147
6-[[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-5-yl]methyl]-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142942
N-[(1R)-1-cyclopropylpropyl]-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126437094
6-(pyridin-3-ylmethyl)-N-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 165142951
6-[(5-ethyl-2-pyridinyl)methyl]-N-[(2R)-2-hydroxypropyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126444691

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 172516937) is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is CC(C)(C)c1cc(NC(=O)c2csc3c2CCN(Cc2cnc4[nH]ncc4c2)C3)no1.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is SDNFAPLMGIGLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2S/c1-22(2,3)18-7-19(27-30-18)25-21(29)16-12-31-17-11-28(5-4-15(16)17)10-13-6-14-9-24-26-20(14)23-8-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,23,24,26)(H,25,27,29).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 436.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(1H-pyrazolo[5,4-b]pyridin-5-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 172516937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).