4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

C102H114F2N18O12S2 — CID 158901918

IUPAC4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(C(=O)NS(C)(=O)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C26H26F2N4O3.C26H32N4O5S.C25H28N6O2.C25H28N4O2S/c1-2-3-4-5-14-34-19-10-8-18(9-11-19)22-15-21(17-6-12-20(13-7-17)35-26(27)28)23(25(33)31-22)24-29-16-30-32-24;1-3-4-5-6-15-35-20-11-9-19(10-12-20)23-16-21(22-13-14-30(28-22)17-18-7-8-18)24(25(31)27-23)26(32)29-36(2,33)34;1-2-3-4-5-14-33-19-10-6-17(7-11-19)22-15-20(21-12-13-31(30-21)18-8-9-18)23(25(32)28-22)24-26-16-27-29-24;1-3-5-6-7-14-31-18-10-8-17(9-11-18)21-15-20(22-13-12-19(4-2)32-22)23(25(30)28-21)24-26-16-27-29-24/h6-13,15-16,26H,2-5,14H2,1H3,(H,31,33)(H,29,30,32);9-14,16,18H,3-8,15,17H2,1-2H3,(H,27,31)(H,29,32);6-7,10-13,15-16,18H,2-5,8-9,14H2,1H3,(H,28,32)(H,26,27,29);8-13,15-16H,3-7,14H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyJFOBZTKMPBJADO-UHFFFAOYSA-N
MW1886.28 g/mol
LogP21.08
Rot. Bonds43

About 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one

4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (PubChem CID 158901918) has the molecular formula C102H114F2N18O12S2 and a molecular weight of 1886.28 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
PubChem CID158901918
Molecular FormulaC102H114F2N18O12S2
Molecular Weight1886.28 g/mol
Exact Mass1884.83
IUPAC Name4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
SMILESCCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(C(=O)NS(C)(=O)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C26H26F2N4O3.C26H32N4O5S.C25H28N6O2.C25H28N4O2S/c1-2-3-4-5-14-34-19-10-8-18(9-11-19)22-15-21(17-6-12-20(13-7-17)35-26(27)28)23(25(33)31-22)24-29-16-30-32-24;1-3-4-5-6-15-35-20-11-9-19(10-12-20)23-16-21(22-13-14-30(28-22)17-18-7-8-18)24(25(31)27-23)26(32)29-36(2,33)34;1-2-3-4-5-14-33-19-10-6-17(7-11-19)22-15-20(21-12-13-31(30-21)18-8-9-18)23(25(32)28-22)24-26-16-27-29-24;1-3-5-6-7-14-31-18-10-8-17(9-11-18)21-15-20(22-13-12-19(4-2)32-22)23(25(30)28-21)24-26-16-27-29-24/h6-13,15-16,26H,2-5,14H2,1H3,(H,31,33)(H,29,30,32);9-14,16,18H,3-8,15,17H2,1-2H3,(H,27,31)(H,29,32);6-7,10-13,15-16,18H,2-5,8-9,14H2,1H3,(H,28,32)(H,26,27,29);8-13,15-16H,3-7,14H2,1-2H3,(H,28,30)(H,26,27,29)
InChIKeyJFOBZTKMPBJADO-UHFFFAOYSA-N
XLogP21.08
TPSA401.18 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds43
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001886.28
LogP ≤ 521.08
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one (CID 158901918) is 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is CCCCCCOc1ccc(-c2cc(-c3ccc(CC)s3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(C4CC4)n3)c(-c3ncn[nH]3)c(=O)[nH]2)cc1.CCCCCCOc1ccc(-c2cc(-c3ccn(CC4CC4)n3)c(C(=O)NS(C)(=O)=O)c(=O)[nH]2)cc1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
The InChIKey is JFOBZTKMPBJADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N4O3.C26H32N4O5S.C25H28N6O2.C25H28N4O2S/c1-2-3-4-5-14-34-19-10-8-18(9-11-19)22-15-21(17-6-12-20(13-7-17)35-26(27)28)23(25(33)31-22)24-29-16-30-32-24;1-3-4-5-6-15-35-20-11-9-19(10-12-20)23-16-21(22-13-14-30(28-22)17-18-7-8-18)24(25(31)27-23)26(32)29-36(2,33)34;1-2-3-4-5-14-33-19-10-6-17(7-11-19)22-15-20(21-12-13-31(30-21)18-8-9-18)23(25(32)28-22)24-26-16-27-29-24;1-3-5-6-7-14-31-18-10-8-17(9-11-18)21-15-20(22-13-12-19(4-2)32-22)23(25(30)28-21)24-26-16-27-29-24/h6-13,15-16,26H,2-5,14H2,1H3,(H,31,33)(H,29,30,32);9-14,16,18H,3-8,15,17H2,1-2H3,(H,27,31)(H,29,32);6-7,10-13,15-16,18H,2-5,8-9,14H2,1H3,(H,28,32)(H,26,27,29);8-13,15-16H,3-7,14H2,1-2H3,(H,28,30)(H,26,27,29).
What are the key properties of 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one?
4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one has a molecular weight of 1886.28 g/mol, XLogP of 21.08, 43 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)pyrazol-3-yl]-6-(4-hexoxyphenyl)-N-methylsulfonyl-2-oxo-1H-pyridine-3-carboxamide;4-(1-cyclopropylpyrazol-3-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-[4-(difluoromethoxy)phenyl]-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-ethylthiophen-2-yl)-6-(4-hexoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 158901918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).