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

C29H30FN7O3 — CID 146320194

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCC1(COc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2-n2cnc(C3CC3)c2)COC1
InChIInChI=1S/C29H30FN7O3/c1-29(14-39-15-29)16-40-24-12-20(30)19(11-23(24)36-13-22(31-17-36)18-8-9-18)28(38)33-25-6-4-5-21(32-25)27-35-34-26-7-2-3-10-37(26)27/h4-6,11-13,17-18H,2-3,7-10,14-16H2,1H3,(H,32,33,38)
InChIKeyJKZYBJWNWFANMG-UHFFFAOYSA-N
MW543.60 g/mol
LogP4.55
Rot. Bonds8

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (PubChem CID 146320194) has the molecular formula C29H30FN7O3 and a molecular weight of 543.60 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
PubChem CID146320194
Molecular FormulaC29H30FN7O3
Molecular Weight543.60 g/mol
Exact Mass543.24
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCC1(COc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2-n2cnc(C3CC3)c2)COC1
InChIInChI=1S/C29H30FN7O3/c1-29(14-39-15-29)16-40-24-12-20(30)19(11-23(24)36-13-22(31-17-36)18-8-9-18)28(38)33-25-6-4-5-21(32-25)27-35-34-26-7-2-3-10-37(26)27/h4-6,11-13,17-18H,2-3,7-10,14-16H2,1H3,(H,32,33,38)
InChIKeyJKZYBJWNWFANMG-UHFFFAOYSA-N
XLogP4.55
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.60
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (CID 146320194) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is CC1(COc2cc(F)c(C(=O)Nc3cccc(-c4nnc5n4CCCC5)n3)cc2-n2cnc(C3CC3)c2)COC1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The InChIKey is JKZYBJWNWFANMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN7O3/c1-29(14-39-15-29)16-40-24-12-20(30)19(11-23(24)36-13-22(31-17-36)18-8-9-18)28(38)33-25-6-4-5-21(32-25)27-35-34-26-7-2-3-10-37(26)27/h4-6,11-13,17-18H,2-3,7-10,14-16H2,1H3,(H,32,33,38).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-[(3-methyloxetan-3-yl)methoxy]-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-[(3-methyloxetan-3-yl)methoxy]-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 543.60 g/mol, XLogP of 4.55, 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-[(3-methyloxetan-3-yl)methoxy]-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 146320194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).