N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane

C103H128F3N15O20S4 — CID 157326749

IUPACN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane
SMILESC.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(C)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C3(OC)COC3)n(C3CC3)n2)ccn1
InChIInChI=1S/C27H28FN5O5S.C26H29FN4O5S.C25H35N3O5S.C24H32FN3O5S.CH4/c1-16(2)20-10-18(28)11-21(17-7-8-30-24(9-17)29-3)22(20)12-25(34)32-39(35,36)26-13-23(27(37-4)14-38-15-27)33(31-26)19-5-6-19;1-16(2)20-9-18(27)10-21(17-5-4-8-28-13-17)22(20)11-24(32)30-37(33,34)25-12-23(26(35-3)14-36-15-26)31(29-25)19-6-7-19;1-15(2)19-9-17(5)10-20(16(3)4)21(19)11-23(29)27-34(30,31)24-12-22(25(32-6)13-33-14-25)28(26-24)18-7-8-18;1-14(2)18-8-16(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(24(32-5)12-33-13-24)28(26-23)17-6-7-17;/h7-11,13,16,19H,5-6,12,14-15H2,1-2,4H3,(H,32,34);4-5,8-10,12-13,16,19H,6-7,11,14-15H2,1-3H3,(H,30,32);9-10,12,15-16,18H,7-8,11,13-14H2,1-6H3,(H,27,29);8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3,(H,27,29);1H4
InChIKeyBEUWNLBUZZVDHB-UHFFFAOYSA-N
MW2081.50 g/mol
LogP15.33
Rot. Bonds36

About N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane (PubChem CID 157326749) has the molecular formula C103H128F3N15O20S4 and a molecular weight of 2081.50 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane
PubChem CID157326749
Molecular FormulaC103H128F3N15O20S4
Molecular Weight2081.50 g/mol
Exact Mass2079.83
IUPAC NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane
SMILESC.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(C)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C3(OC)COC3)n(C3CC3)n2)ccn1
InChIInChI=1S/C27H28FN5O5S.C26H29FN4O5S.C25H35N3O5S.C24H32FN3O5S.CH4/c1-16(2)20-10-18(28)11-21(17-7-8-30-24(9-17)29-3)22(20)12-25(34)32-39(35,36)26-13-23(27(37-4)14-38-15-27)33(31-26)19-5-6-19;1-16(2)20-9-18(27)10-21(17-5-4-8-28-13-17)22(20)11-24(32)30-37(33,34)25-12-23(26(35-3)14-36-15-26)31(29-25)19-6-7-19;1-15(2)19-9-17(5)10-20(16(3)4)21(19)11-23(29)27-34(30,31)24-12-22(25(32-6)13-33-14-25)28(26-24)18-7-8-18;1-14(2)18-8-16(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(24(32-5)12-33-13-24)28(26-23)17-6-7-17;/h7-11,13,16,19H,5-6,12,14-15H2,1-2,4H3,(H,32,34);4-5,8-10,12-13,16,19H,6-7,11,14-15H2,1-3H3,(H,30,32);9-10,12,15-16,18H,7-8,11,13-14H2,1-6H3,(H,27,29);8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3,(H,27,29);1H4
InChIKeyBEUWNLBUZZVDHB-UHFFFAOYSA-N
XLogP15.33
TPSA428.22 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds36
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002081.50
LogP ≤ 515.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane?
The IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane (CID 157326749) is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane.
What is the SMILES notation for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane?
The canonical SMILES for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane is C.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(C)cc3C(C)C)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(C(C)C)cc(F)cc3C(C)C)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)cc(C(C)C)c2CC(=O)NS(=O)(=O)c2cc(C3(OC)COC3)n(C3CC3)n2)ccn1.
What is the InChIKey of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane?
The InChIKey is BEUWNLBUZZVDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O5S.C26H29FN4O5S.C25H35N3O5S.C24H32FN3O5S.CH4/c1-16(2)20-10-18(28)11-21(17-7-8-30-24(9-17)29-3)22(20)12-25(34)32-39(35,36)26-13-23(27(37-4)14-38-15-27)33(31-26)19-5-6-19;1-16(2)20-9-18(27)10-21(17-5-4-8-28-13-17)22(20)11-24(32)30-37(33,34)25-12-23(26(35-3)14-36-15-26)31(29-25)19-6-7-19;1-15(2)19-9-17(5)10-20(16(3)4)21(19)11-23(29)27-34(30,31)24-12-22(25(32-6)13-33-14-25)28(26-24)18-7-8-18;1-14(2)18-8-16(25)9-19(15(3)4)20(18)10-22(29)27-34(30,31)23-11-21(24(32-5)12-33-13-24)28(26-23)17-6-7-17;/h7-11,13,16,19H,5-6,12,14-15H2,1-2,4H3,(H,32,34);4-5,8-10,12-13,16,19H,6-7,11,14-15H2,1-3H3,(H,30,32);9-10,12,15-16,18H,7-8,11,13-14H2,1-6H3,(H,27,29);8-9,11,14-15,17H,6-7,10,12-13H2,1-5H3,(H,27,29);1H4.
What are the key properties of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane?
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane has a molecular weight of 2081.50 g/mol, XLogP of 15.33, 36 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-fluoro-2-(2-isocyano-4-pyridinyl)-6-propan-2-ylphenyl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]acetamide;methane is sourced from PubChem (CID 157326749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).