6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C23H23N5OS — CID 137226685

IUPAC6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCc1cnc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N5OS/c1-2-17-12-24-23(30-17)18-11-19(27-22(29)20(18)21-25-13-26-28-21)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyBRZDEUKCRMGFBV-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.86
Rot. Bonds7

About 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 137226685) 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-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID137226685
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCc1cnc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)s1
InChIInChI=1S/C23H23N5OS/c1-2-17-12-24-23(30-17)18-11-19(27-22(29)20(18)21-25-13-26-28-21)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6H2,1H3,(H,27,29)(H,25,26,28)
InChIKeyBRZDEUKCRMGFBV-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

Analyze 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxamide
CID 71972532
2-{1-(4-ethylbenzyl)-5-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72901164
4-(2-isopropyl-1,3-thiazol-5-yl)-N-[2-(1-methyl-1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 122566130
4-(4-methylphenyl)-3-(2H-tetrazol-5-yl)-6-[5-(7,7,7-trifluoroheptyl)-1,3-thiazol-2-yl]-1H-pyridin-2-one
CID 137179214
(3R)-N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165404889
(3S)-N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(2-methyl-1,3-thiazol-5-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 165405485
(3S)-N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025375
N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-[(1S,2S)-2-(5-methyl-1,3-thiazol-2-yl)-1-(trifluoromethyl)cyclopropyl]propanamide
CID 166025383
(Z)-3-(5-methyl-1,3-thiazol-2-yl)-N-[(2S)-2-[methyl-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]amino]propyl]-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 166025554
(Z)-N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 170698672
N-[(2S)-2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 174189064
N-[2-(dimethylamino)-3-[4-(1H-1,2,4-triazol-5-yl)phenyl]propyl]-3-(5-methyl-1,3-thiazol-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]prop-2-enamide
CID 175526108

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 137226685) is 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCc1cnc(-c2cc(-c3ccc(CCC4CC4)cc3)[nH]c(=O)c2-c2ncn[nH]2)s1.
What is the InChIKey of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is BRZDEUKCRMGFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-2-17-12-24-23(30-17)18-11-19(27-22(29)20(18)21-25-13-26-28-21)16-9-7-15(8-10-16)6-5-14-3-4-14/h7-14H,2-6H2,1H3,(H,27,29)(H,25,26,28).
What are the key properties of 6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
6-[4-(2-cyclopropylethyl)phenyl]-4-(5-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-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-ethyl-1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 137226685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).