N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

C160H170F4N26O30S6 — CID 158022316

IUPACN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCOC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C(C)C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)cc(F)c4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H26FN5O5S.C27H29FN4O5S.C27H27N5O5S.C27H30N4O5S.C26H27FN4O5S.C26H31FN4O5S/c1-29-24-10-16(8-9-30-24)20-11-22(28)19-5-3-4-18(19)21(20)12-25(34)32-39(35,36)26-13-23(27(37-2)14-38-15-27)33(31-26)17-6-7-17;1-16-10-17(8-9-29-16)21-11-23(28)20-5-3-4-19(20)22(21)12-25(33)31-38(34,35)26-13-24(27(36-2)14-37-15-27)32(30-26)18-6-7-18;1-28-24-12-18(10-11-29-24)21-9-6-17-4-3-5-20(17)22(21)13-25(33)31-38(34,35)26-14-23(27(36-2)15-37-16-27)32(30-26)19-7-8-19;1-17-12-19(10-11-28-17)22-9-6-18-4-3-5-21(18)23(22)13-25(32)30-37(33,34)26-14-24(27(35-2)15-36-16-27)31(29-26)20-7-8-20;1-35-26(14-36-15-26)23-13-25(29-31(23)17-5-6-17)37(33,34)30-24(32)12-21-18-3-2-4-19(18)22(27)11-20(21)16-7-9-28-10-8-16;1-16(2)20-9-19(27)10-21(18-7-6-8-28-13-18)22(20)11-24(32)30-37(33,34)25-12-23(31(29-25)17(3)4)26(35-5)14-36-15-26/h8-11,13,17H,3-7,12,14-15H2,2H3,(H,32,34);8-11,13,18H,3-7,12,14-15H2,1-2H3,(H,31,33);6,9-12,14,19H,3-5,7-8,13,15-16H2,2H3,(H,31,33);6,9-12,14,20H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32);7-11,13,17H,2-6,12,14-15H2,1H3,(H,30,32);6-10,12-13,16-17H,11,14-15H2,1-5H3,(H,30,32)
InChIKeyFGEWULAHKVQVTI-UHFFFAOYSA-N
MW3205.67 g/mol
LogP19.28
Rot. Bonds49

About N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide

N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (PubChem CID 158022316) has the molecular formula C160H170F4N26O30S6 and a molecular weight of 3205.67 g/mol. Its IUPAC name is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
PubChem CID158022316
Molecular FormulaC160H170F4N26O30S6
Molecular Weight3205.67 g/mol
Exact Mass3203.08
IUPAC NameN-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide
SMILESCOC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C(C)C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)cc(F)c4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1
InChIInChI=1S/C27H26FN5O5S.C27H29FN4O5S.C27H27N5O5S.C27H30N4O5S.C26H27FN4O5S.C26H31FN4O5S/c1-29-24-10-16(8-9-30-24)20-11-22(28)19-5-3-4-18(19)21(20)12-25(34)32-39(35,36)26-13-23(27(37-2)14-38-15-27)33(31-26)17-6-7-17;1-16-10-17(8-9-29-16)21-11-23(28)20-5-3-4-19(20)22(21)12-25(33)31-38(34,35)26-13-24(27(36-2)14-37-15-27)32(30-26)18-6-7-18;1-28-24-12-18(10-11-29-24)21-9-6-17-4-3-5-20(17)22(21)13-25(33)31-38(34,35)26-14-23(27(36-2)15-37-16-27)32(30-26)19-7-8-19;1-17-12-19(10-11-28-17)22-9-6-18-4-3-5-21(18)23(22)13-25(32)30-37(33,34)26-14-24(27(35-2)15-36-16-27)31(29-26)20-7-8-20;1-35-26(14-36-15-26)23-13-25(29-31(23)17-5-6-17)37(33,34)30-24(32)12-21-18-3-2-4-19(18)22(27)11-20(21)16-7-9-28-10-8-16;1-16(2)20-9-19(27)10-21(18-7-6-8-28-13-18)22(20)11-24(32)30-37(33,34)25-12-23(31(29-25)17(3)4)26(35-5)14-36-15-26/h8-11,13,17H,3-7,12,14-15H2,2H3,(H,32,34);8-11,13,18H,3-7,12,14-15H2,1-2H3,(H,31,33);6,9-12,14,19H,3-5,7-8,13,15-16H2,2H3,(H,31,33);6,9-12,14,20H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32);7-11,13,17H,2-6,12,14-15H2,1H3,(H,30,32);6-10,12-13,16-17H,11,14-15H2,1-5H3,(H,30,32)
InChIKeyFGEWULAHKVQVTI-UHFFFAOYSA-N
XLogP19.28
TPSA683.18 Ų
H-Bond Donors6
H-Bond Acceptors48
Rotatable Bonds49
Heavy Atoms226
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003205.67
LogP ≤ 519.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1048

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-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide 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-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The IUPAC name of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide (CID 158022316) is N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The canonical SMILES for N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4cccnc4)cc(F)cc3C(C)C)nn2C(C)C)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)cc(F)c4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccnc(C)c4)ccc4c3CCC4)nn2C2CC2)COC1.COC1(c2cc(S(=O)(=O)NC(=O)Cc3c(-c4ccncc4)cc(F)c4c3CCC4)nn2C2CC2)COC1.[C-]#[N+]c1cc(-c2cc(F)c3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1.[C-]#[N+]c1cc(-c2ccc3c(c2CC(=O)NS(=O)(=O)c2cc(C4(OC)COC4)n(C4CC4)n2)CCC3)ccn1.
What is the InChIKey of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
The InChIKey is FGEWULAHKVQVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O5S.C27H29FN4O5S.C27H27N5O5S.C27H30N4O5S.C26H27FN4O5S.C26H31FN4O5S/c1-29-24-10-16(8-9-30-24)20-11-22(28)19-5-3-4-18(19)21(20)12-25(34)32-39(35,36)26-13-23(27(37-2)14-38-15-27)33(31-26)17-6-7-17;1-16-10-17(8-9-29-16)21-11-23(28)20-5-3-4-19(20)22(21)12-25(33)31-38(34,35)26-13-24(27(36-2)14-37-15-27)32(30-26)18-6-7-18;1-28-24-12-18(10-11-29-24)21-9-6-17-4-3-5-20(17)22(21)13-25(33)31-38(34,35)26-14-23(27(36-2)15-37-16-27)32(30-26)19-7-8-19;1-17-12-19(10-11-28-17)22-9-6-18-4-3-5-21(18)23(22)13-25(32)30-37(33,34)26-14-24(27(35-2)15-36-16-27)31(29-26)20-7-8-20;1-35-26(14-36-15-26)23-13-25(29-31(23)17-5-6-17)37(33,34)30-24(32)12-21-18-3-2-4-19(18)22(27)11-20(21)16-7-9-28-10-8-16;1-16(2)20-9-19(27)10-21(18-7-6-8-28-13-18)22(20)11-24(32)30-37(33,34)25-12-23(31(29-25)17(3)4)26(35-5)14-36-15-26/h8-11,13,17H,3-7,12,14-15H2,2H3,(H,32,34);8-11,13,18H,3-7,12,14-15H2,1-2H3,(H,31,33);6,9-12,14,19H,3-5,7-8,13,15-16H2,2H3,(H,31,33);6,9-12,14,20H,3-5,7-8,13,15-16H2,1-2H3,(H,30,32);7-11,13,17H,2-6,12,14-15H2,1H3,(H,30,32);6-10,12-13,16-17H,11,14-15H2,1-5H3,(H,30,32).
What are the key properties of N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide?
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide has a molecular weight of 3205.67 g/mol, XLogP of 19.28, 49 rotatable bonds, 6 hydrogen bond donors, and 48 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-[7-fluoro-5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[7-fluoro-5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-(7-fluoro-5-pyridin-4-yl-2,3-dihydro-1H-inden-4-yl)acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide;2-(4-fluoro-2-propan-2-yl-6-pyridin-3-ylphenyl)-N-[5-(3-methoxyoxetan-3-yl)-1-propan-2-ylpyrazol-3-yl]sulfonylacetamide is sourced from PubChem (CID 158022316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).