3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

C73H68F5N19O3 — CID 159094586

IUPAC3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc(-c2nccn2C2CC2)n1)c1cccc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C25H25FN6O.C24H21F4N7O.C24H22N6O/c1-15(2)32-10-9-27-24(32)20-5-4-6-23(29-20)30-25(33)18-12-22(16(3)11-19(18)26)31-13-21(28-14-31)17-7-8-17;1-13-8-17(25)16(9-20(13)34-10-19(29-11-34)15-6-7-15)23(36)32-21-5-3-4-18(31-21)22-33-30-12-35(22)14(2)24(26,27)28;31-24(17-3-1-4-19(13-17)29-14-21(26-15-29)16-7-8-16)28-22-6-2-5-20(27-22)23-25-11-12-30(23)18-9-10-18/h4-6,9-15,17H,7-8H2,1-3H3,(H,29,30,33);3-5,8-12,14-15H,6-7H2,1-2H3,(H,31,32,36);1-6,11-16,18H,7-10H2,(H,27,28,31)/t;14-;/m.0./s1
InChIKeyKCMRUROQJWBBAO-XYKWTOECSA-N
MW1354.47 g/mol
LogP15.11
Rot. Bonds18

About 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide

3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (PubChem CID 159094586) has the molecular formula C73H68F5N19O3 and a molecular weight of 1354.47 g/mol. Its IUPAC name is 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
PubChem CID159094586
Molecular FormulaC73H68F5N19O3
Molecular Weight1354.47 g/mol
Exact Mass1353.57
IUPAC Name3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc(-c2nccn2C2CC2)n1)c1cccc(-n2cnc(C3CC3)c2)c1
InChIInChI=1S/C25H25FN6O.C24H21F4N7O.C24H22N6O/c1-15(2)32-10-9-27-24(32)20-5-4-6-23(29-20)30-25(33)18-12-22(16(3)11-19(18)26)31-13-21(28-14-31)17-7-8-17;1-13-8-17(25)16(9-20(13)34-10-19(29-11-34)15-6-7-15)23(36)32-21-5-3-4-18(31-21)22-33-30-12-35(22)14(2)24(26,27)28;31-24(17-3-1-4-19(13-17)29-14-21(26-15-29)16-7-8-16)28-22-6-2-5-20(27-22)23-25-11-12-30(23)18-9-10-18/h4-6,9-15,17H,7-8H2,1-3H3,(H,29,30,33);3-5,8-12,14-15H,6-7H2,1-2H3,(H,31,32,36);1-6,11-16,18H,7-10H2,(H,27,28,31)/t;14-;/m.0./s1
InChIKeyKCMRUROQJWBBAO-XYKWTOECSA-N
XLogP15.11
TPSA245.78 Ų
H-Bond Donors3
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.47
LogP ≤ 515.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1019

Analyze 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide with MolForge

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Related Compounds

Selonsertib
CID 71245288
US11136324, Example 10
CID 142417486
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide
CID 71245213
US11136324, Example 9
CID 135307214
US11136324, Example 8
CID 135307239
US11040968, Example 001
CID 135307264
US11040968, Example 003
CID 137511135
US11040968, Example 002
CID 137511328
US11136324, Example 60
CID 142417427
US11136324, Example 31
CID 142417442
US11136324, Example 32
CID 142417447
US11136324, Example 48
CID 142417448

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The IUPAC name of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide (CID 159094586) is 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide.
What is the SMILES notation for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The canonical SMILES for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nccn3C(C)C)n2)cc1-n1cnc(C2CC2)c1.Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3[C@@H](C)C(F)(F)F)n2)cc1-n1cnc(C2CC2)c1.O=C(Nc1cccc(-c2nccn2C2CC2)n1)c1cccc(-n2cnc(C3CC3)c2)c1.
What is the InChIKey of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
The InChIKey is KCMRUROQJWBBAO-XYKWTOECSA-N. The full InChI is InChI=1S/C25H25FN6O.C24H21F4N7O.C24H22N6O/c1-15(2)32-10-9-27-24(32)20-5-4-6-23(29-20)30-25(33)18-12-22(16(3)11-19(18)26)31-13-21(28-14-31)17-7-8-17;1-13-8-17(25)16(9-20(13)34-10-19(29-11-34)15-6-7-15)23(36)32-21-5-3-4-18(31-21)22-33-30-12-35(22)14(2)24(26,27)28;31-24(17-3-1-4-19(13-17)29-14-21(26-15-29)16-7-8-16)28-22-6-2-5-20(27-22)23-25-11-12-30(23)18-9-10-18/h4-6,9-15,17H,7-8H2,1-3H3,(H,29,30,33);3-5,8-12,14-15H,6-7H2,1-2H3,(H,31,32,36);1-6,11-16,18H,7-10H2,(H,27,28,31)/t;14-;/m.0./s1.
What are the key properties of 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide?
3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide has a molecular weight of 1354.47 g/mol, XLogP of 15.11, 18 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropylimidazol-1-yl)-N-[6-(1-cyclopropylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]benzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]benzamide is sourced from PubChem (CID 159094586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).