6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide

C19H23N5O2S — CID 118777469

IUPAC6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NCCc3ccn[nH]3)csc2C1
InChIInChI=1S/C19H23N5O2S/c1-12-16(13(2)26-23-12)9-24-8-5-15-17(11-27-18(15)10-24)19(25)20-6-3-14-4-7-21-22-14/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMSCNKZLLUSJQOW-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.61
Rot. Bonds6

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

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (PubChem CID 118777469) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
PubChem CID118777469
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC Name6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
SMILESCc1noc(C)c1CN1CCc2c(C(=O)NCCc3ccn[nH]3)csc2C1
InChIInChI=1S/C19H23N5O2S/c1-12-16(13(2)26-23-12)9-24-8-5-15-17(11-27-18(15)10-24)19(25)20-6-3-14-4-7-21-22-14/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyMSCNKZLLUSJQOW-UHFFFAOYSA-N
XLogP2.61
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-ylpropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795473
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-morpholin-4-ylethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118784679
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118766521
N-cyclobutyl-6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118795787
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-methyl-1H-imidazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 119065607
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118762959
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-propylcyclopropyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118788721
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-oxopiperidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118765255
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118794354
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2S)-1-methoxypropan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118782235
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(2R)-hexan-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118789257
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 126454441

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide (CID 118777469) is 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is Cc1noc(C)c1CN1CCc2c(C(=O)NCCc3ccn[nH]3)csc2C1.
What is the InChIKey of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
The InChIKey is MSCNKZLLUSJQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-12-16(13(2)26-23-12)9-24-8-5-15-17(11-27-18(15)10-24)19(25)20-6-3-14-4-7-21-22-14/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide?
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[2-(1H-pyrazol-5-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 118777469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).