6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C84H92ClFN18O5 — CID 159358147

IUPAC6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)(C)C1CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CC1(C)CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CCCCCCOc1ccc(-c2cc(-c3nn(CC4CC4)cc3Cl)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C30H34N6O.C28H30N6O.C26H28ClFN6O3/c1-30(2,3)23-12-10-21(11-13-23)20-6-8-22(9-7-20)26-16-24(25-14-15-36(35-25)17-19-4-5-19)27(29(37)33-26)28-31-18-32-34-28;1-28(2)12-9-20(10-13-28)19-5-7-21(8-6-19)24-15-22(23-11-14-34(33-23)16-18-3-4-18)25(27(35)31-24)26-29-17-30-32-26;1-2-3-4-5-10-37-17-8-9-18(21(28)11-17)22-12-19(24-20(27)15-33(31-24)14-16-6-7-16)25(26(36)30-22)34-23(35)13-29-32-34/h6-10,14-16,18-19,23H,4-5,11-13,17H2,1-3H3,(H,33,37)(H,31,32,34);5-9,11,14-15,17-18H,3-4,10,12-13,16H2,1-2H3,(H,31,35)(H,29,30,32);8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,30,36)
InChIKeyLIENNQGVUANOPA-UHFFFAOYSA-N
MW1488.23 g/mol
LogP17.80
Rot. Bonds23

About 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 159358147) has the molecular formula C84H92ClFN18O5 and a molecular weight of 1488.23 g/mol. Its IUPAC name is 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID159358147
Molecular FormulaC84H92ClFN18O5
Molecular Weight1488.23 g/mol
Exact Mass1486.72
IUPAC Name6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCC(C)(C)C1CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CC1(C)CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CCCCCCOc1ccc(-c2cc(-c3nn(CC4CC4)cc3Cl)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1
InChIInChI=1S/C30H34N6O.C28H30N6O.C26H28ClFN6O3/c1-30(2,3)23-12-10-21(11-13-23)20-6-8-22(9-7-20)26-16-24(25-14-15-36(35-25)17-19-4-5-19)27(29(37)33-26)28-31-18-32-34-28;1-28(2)12-9-20(10-13-28)19-5-7-21(8-6-19)24-15-22(23-11-14-34(33-23)16-18-3-4-18)25(27(35)31-24)26-29-17-30-32-26;1-2-3-4-5-10-37-17-8-9-18(21(28)11-17)22-12-19(24-20(27)15-33(31-24)14-16-6-7-16)25(26(36)30-22)34-23(35)13-29-32-34/h6-10,14-16,18-19,23H,4-5,11-13,17H2,1-3H3,(H,33,37)(H,31,32,34);5-9,11,14-15,17-18H,3-4,10,12-13,16H2,1-2H3,(H,31,35)(H,29,30,32);8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,30,36)
InChIKeyLIENNQGVUANOPA-UHFFFAOYSA-N
XLogP17.80
TPSA289.44 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.23
LogP ≤ 517.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226607
6-(4-butoxyphenyl)-4-(1-cyclopropylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(1-propan-2-ylpyrazol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(1-ethylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 158820485
4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226641
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(2H-tetrazol-5-yl)-6-[4-(6,6,6-trifluorohexoxy)phenyl]-1H-pyridin-2-one
CID 137179219
4-[4-(difluoromethyl)phenyl]-6-(2-fluoro-4-hexoxyphenyl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137226614
4-(5-ethylthiophen-2-yl)-6-[4-(4-propylcyclohexyl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 137226690
6-(4-butoxy-3-methylphenyl)-4-(4-methylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(5-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(dimethylamino)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-hexoxyphenyl)-4-(1-propan-2-ylpyrrol-3-yl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 161346548
6-[2-fluoro-4-(6,6,6-trifluorohexoxy)phenyl]-4-(4-methylphenyl)-3-(5-oxo-1H-tetrazol-4-yl)-1H-pyridin-2-one
CID 137179208
2,3-difluoro-1-[4-[2-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentoxybenzene
CID 67738967
6-[2-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-(2H-tetrazol-5-yl)-1H-pyridin-2-one
CID 137179204
N'-amino-6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(5-ethylthiophen-2-yl)-2-oxo-1H-pyridine-3-carboximidamide
CID 137279830
3-(2-fluoro-4-pentoxyphenyl)-6-[2-(4-heptylcyclohexyl)ethyl]pyridazine
CID 139778897

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 159358147) is 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CC(C)(C)C1CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CC1(C)CC=C(c2ccc(-c3cc(-c4ccn(CC5CC5)n4)c(-c4ncn[nH]4)c(=O)[nH]3)cc2)CC1.CCCCCCOc1ccc(-c2cc(-c3nn(CC4CC4)cc3Cl)c(N3N=NCC3=O)c(=O)[nH]2)c(F)c1.
What is the InChIKey of 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is LIENNQGVUANOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O.C28H30N6O.C26H28ClFN6O3/c1-30(2,3)23-12-10-21(11-13-23)20-6-8-22(9-7-20)26-16-24(25-14-15-36(35-25)17-19-4-5-19)27(29(37)33-26)28-31-18-32-34-28;1-28(2)12-9-20(10-13-28)19-5-7-21(8-6-19)24-15-22(23-11-14-34(33-23)16-18-3-4-18)25(27(35)31-24)26-29-17-30-32-26;1-2-3-4-5-10-37-17-8-9-18(21(28)11-17)22-12-19(24-20(27)15-33(31-24)14-16-6-7-16)25(26(36)30-22)34-23(35)13-29-32-34/h6-10,14-16,18-19,23H,4-5,11-13,17H2,1-3H3,(H,33,37)(H,31,32,34);5-9,11,14-15,17-18H,3-4,10,12-13,16H2,1-2H3,(H,31,35)(H,29,30,32);8-9,11-12,15-16H,2-7,10,13-14H2,1H3,(H,30,36).
What are the key properties of 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 1488.23 g/mol, XLogP of 17.80, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-tert-butylcyclohexen-1-yl)phenyl]-4-[1-(cyclopropylmethyl)pyrazol-3-yl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-chloro-1-(cyclopropylmethyl)pyrazol-3-yl]-6-(2-fluoro-4-hexoxyphenyl)-3-(5-oxo-4H-triazol-1-yl)-1H-pyridin-2-one;4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-[4-(4,4-dimethylcyclohexen-1-yl)phenyl]-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 159358147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).