5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C72H74F4N16O4 — CID 159723203

IUPAC5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1CC(=O)c1ccc(F)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1N
InChIInChI=1S/C29H27F2N5O2.C22H24FN5O.C21H23FN6O/c1-16(2)36-15-32-35-28(36)25-5-4-6-27(33-25)34-29(38)23-14-21(17(3)11-24(23)31)22-12-19(22)13-26(37)18-7-9-20(30)10-8-18;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-11(2)28-10-24-27-20(28)18-5-4-6-19(25-18)26-21(29)15-8-13(14-9-17(14)23)12(3)7-16(15)22/h4-11,14-16,19,22H,12-13H2,1-3H3,(H,33,34,38);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-8,10-11,14,17H,9,23H2,1-3H3,(H,25,26,29)
InChIKeyNAHOEZJHDVCZSR-UHFFFAOYSA-N
MW1303.48 g/mol
LogP14.32
Rot. Bonds18

About 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 159723203) has the molecular formula C72H74F4N16O4 and a molecular weight of 1303.48 g/mol. Its IUPAC name is 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID159723203
Molecular FormulaC72H74F4N16O4
Molecular Weight1303.48 g/mol
Exact Mass1302.60
IUPAC Name5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1CC(=O)c1ccc(F)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1N
InChIInChI=1S/C29H27F2N5O2.C22H24FN5O.C21H23FN6O/c1-16(2)36-15-32-35-28(36)25-5-4-6-27(33-25)34-29(38)23-14-21(17(3)11-24(23)31)22-12-19(22)13-26(37)18-7-9-20(30)10-8-18;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-11(2)28-10-24-27-20(28)18-5-4-6-19(25-18)26-21(29)15-8-13(14-9-17(14)23)12(3)7-16(15)22/h4-11,14-16,19,22H,12-13H2,1-3H3,(H,33,34,38);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-8,10-11,14,17H,9,23H2,1-3H3,(H,25,26,29)
InChIKeyNAHOEZJHDVCZSR-UHFFFAOYSA-N
XLogP14.32
TPSA261.19 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001303.48
LogP ≤ 514.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

N-(6-(1-(1-(2-aminoacetyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 90246264
N-(6-(2-cyclopropyl-4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 118538730
N-(6-(1-(1-(2-cyanoethyl)piperidin-4-yl)-2-cyclopropyl-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)-3-(pyridin-3-yl)benzamide
CID 136214281
USRE48711, Example 224
CID 58102973
US10450301, Example 44
CID 145751525
US10968199, Example 7
CID 146402863
US10968199, Example 3
CID 146402864
US10968199, Example 5
CID 146402866
US10968199, Example 6
CID 146402875
US10968199, Example 12
CID 146411815
US10968199, Example 14
CID 146411820
US10968199, Example 13
CID 146411826

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 159723203) is 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1C.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1CC(=O)c1ccc(F)cc1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1N.
What is the InChIKey of 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is NAHOEZJHDVCZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F2N5O2.C22H24FN5O.C21H23FN6O/c1-16(2)36-15-32-35-28(36)25-5-4-6-27(33-25)34-29(38)23-14-21(17(3)11-24(23)31)22-12-19(22)13-26(37)18-7-9-20(30)10-8-18;1-12(2)28-11-24-27-21(28)19-6-5-7-20(25-19)26-22(29)17-10-16(15-8-13(15)3)14(4)9-18(17)23;1-11(2)28-10-24-27-20(28)18-5-4-6-19(25-18)26-21(29)15-8-13(14-9-17(14)23)12(3)7-16(15)22/h4-11,14-16,19,22H,12-13H2,1-3H3,(H,33,34,38);5-7,9-13,15H,8H2,1-4H3,(H,25,26,29);4-8,10-11,14,17H,9,23H2,1-3H3,(H,25,26,29).
What are the key properties of 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 1303.48 g/mol, XLogP of 14.32, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminocyclopropyl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-5-[2-[2-(4-fluorophenyl)-2-oxoethyl]cyclopropyl]-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide;2-fluoro-4-methyl-5-(2-methylcyclopropyl)-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 159723203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).