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

C23H23N5OS — CID 137179169

IUPAC6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1
InChIInChI=1S/C23H23N5OS/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/h7-14H,2-6H2,1H3,(H,24,29)(H,25,26,27,28)
InChIKeyRJWWCMOBEABZPT-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.86
Rot. Bonds7

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

6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (PubChem CID 137179169) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
PubChem CID137179169
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
SMILESCCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1
InChIInChI=1S/C23H23N5OS/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/h7-14H,2-6H2,1H3,(H,24,29)(H,25,26,27,28)
InChIKeyRJWWCMOBEABZPT-UHFFFAOYSA-N
XLogP4.86
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one (CID 137179169) is 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is CCc1ccc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2nn[nH]n2)s1.
What is the InChIKey of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
The InChIKey is RJWWCMOBEABZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/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/h7-14H,2-6H2,1H3,(H,24,29)(H,25,26,27,28).
What are the key properties of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one?
6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one has a molecular weight of 417.54 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethylthiophen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137179169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).