5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

C28H28FN7O3 — CID 146320196

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCC2COC2)cc1F
InChIInChI=1S/C28H28FN7O3/c29-20-11-24(39-15-17-13-38-14-17)23(35-12-22(30-16-35)18-7-8-18)10-19(20)28(37)32-25-5-3-4-21(31-25)27-34-33-26-6-1-2-9-36(26)27/h3-5,10-12,16-18H,1-2,6-9,13-15H2,(H,31,32,37)
InChIKeyUXBWUIWYUHVKDW-UHFFFAOYSA-N
MW529.58 g/mol
LogP4.16
Rot. Bonds8

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (PubChem CID 146320196) has the molecular formula C28H28FN7O3 and a molecular weight of 529.58 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
PubChem CID146320196
Molecular FormulaC28H28FN7O3
Molecular Weight529.58 g/mol
Exact Mass529.22
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCC2COC2)cc1F
InChIInChI=1S/C28H28FN7O3/c29-20-11-24(39-15-17-13-38-14-17)23(35-12-22(30-16-35)18-7-8-18)10-19(20)28(37)32-25-5-3-4-21(31-25)27-34-33-26-6-1-2-9-36(26)27/h3-5,10-12,16-18H,1-2,6-9,13-15H2,(H,31,32,37)
InChIKeyUXBWUIWYUHVKDW-UHFFFAOYSA-N
XLogP4.16
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

GSK3 Inhibitor, 2
CID 70701949
US10919911, Example 1
CID 139581177
US10919911, Example 2
CID 139581182
US10919911, Example 9
CID 139581200
US10919911, Example 34
CID 139581238
US10919911, Example 35
CID 139581301
US10919911, Example 7
CID 139581304
N-[3-(4-cyclopropylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methoxybenzamide
CID 164946011
US9555022, Example 02.41
CID 54770804
N-[2-(4-fluoroanilino)-2-oxoethyl]-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 16317635
N-(4-fluorophenyl)-2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 16317636
N-(3-fluorophenyl)-2-[4-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 16317639

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (CID 146320196) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is O=C(Nc1cccc(-c2nnc3n2CCCC3)n1)c1cc(-n2cnc(C3CC3)c2)c(OCC2COC2)cc1F.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The InChIKey is UXBWUIWYUHVKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O3/c29-20-11-24(39-15-17-13-38-14-17)23(35-12-22(30-16-35)18-7-8-18)10-19(20)28(37)32-25-5-3-4-21(31-25)27-34-33-26-6-1-2-9-36(26)27/h3-5,10-12,16-18H,1-2,6-9,13-15H2,(H,31,32,37).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide has a molecular weight of 529.58 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(oxetan-3-ylmethoxy)-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146320196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).