6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

C23H21N5OS — CID 137179197

IUPAC6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1
InChIInChI=1S/C23H21N5OS/c1-2-17-11-12-20(30-17)18-13-19(24-23(29)21(18)22-25-27-28-26-22)16-9-7-15(8-10-16)6-5-14-3-4-14/h5-14H,2-4H2,1H3,(H,24,29)(H,25,26,27,28)/b6-5+
InChIKeyPWPQFRHHVFWUKE-AATRIKPKSA-N
MW415.52 g/mol
LogP4.94
Rot. Bonds6

About 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one

6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 137179197) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID137179197
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1
InChIInChI=1S/C23H21N5OS/c1-2-17-11-12-20(30-17)18-13-19(24-23(29)21(18)22-25-27-28-26-22)16-9-7-15(8-10-16)6-5-14-3-4-14/h5-14H,2-4H2,1H3,(H,24,29)(H,25,26,27,28)/b6-5+
InChIKeyPWPQFRHHVFWUKE-AATRIKPKSA-N
XLogP4.94
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 124194814
CID 124194814
CID 135409519
CID 135409519
CID 135966589
CID 135966589
CID 136082956
CID 136082956
CID 136110722
CID 136110722
CID 136149684
CID 136149684
CID 136171406
CID 136171406
CID 136483436
CID 136483436
CID 136483445
CID 136483445
CID 136483447
CID 136483447
CID 136483503
CID 136483503
CID 137179169
CID 137179169

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 137179197) is 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is CCc1ccc(-c2cc(-c3ccc(/C=C/C4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1.
What is the InChIKey of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is PWPQFRHHVFWUKE-AATRIKPKSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-2-17-11-12-20(30-17)18-13-19(24-23(29)21(18)22-25-27-28-26-22)16-9-7-15(8-10-16)6-5-14-3-4-14/h5-14H,2-4H2,1H3,(H,24,29)(H,25,26,27,28)/b6-5+.
What are the key properties of 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 415.52 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(E)-2-cyclopropylethenyl]phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137179197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).