(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C16H22N4OS — CID 94121250

IUPAC(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C16H22N4OS/c1-3-14-13-6-9-22-15(13)5-8-20(14)16(21)17-7-4-12-10-18-19(2)11-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyKFRHUFXACPLGMZ-CQSZACIVSA-N
MW318.45 g/mol
LogP2.74
Rot. Bonds4

About (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 94121250) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
PubChem CID94121250
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
SMILESCC[C@@H]1c2ccsc2CCN1C(=O)NCCc1cnn(C)c1
InChIInChI=1S/C16H22N4OS/c1-3-14-13-6-9-22-15(13)5-8-20(14)16(21)17-7-4-12-10-18-19(2)11-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,17,21)/t14-/m1/s1
InChIKeyKFRHUFXACPLGMZ-CQSZACIVSA-N
XLogP2.74
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[3-(1,2,4-triazol-1-yl)propyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 53498622
(4R)-4-ethyl-N-(4-methyl-3-oxopyrazin-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 124616346
4-ethyl-N-(4-propylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112824907
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 97027157
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 112837975
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
CID 46442151
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068

Frequently Asked Questions

What is the IUPAC name of (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The IUPAC name of (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 94121250) is (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.
What is the SMILES notation for (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The canonical SMILES for (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is CC[C@@H]1c2ccsc2CCN1C(=O)NCCc1cnn(C)c1.
What is the InChIKey of (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
The InChIKey is KFRHUFXACPLGMZ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-3-14-13-6-9-22-15(13)5-8-20(14)16(21)17-7-4-12-10-18-19(2)11-12/h6,9-11,14H,3-5,7-8H2,1-2H3,(H,17,21)/t14-/m1/s1.
What are the key properties of (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?
(4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 94121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).