N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide

C24H25ClF2N4O3 — CID 134474275

IUPACN-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C24H25ClF2N4O3/c1-3-7-14(2)34-20-13-19(31-24(33)30-11-5-4-10-21(30)29-31)18(27)12-15(20)23(32)28-22-16(25)8-6-9-17(22)26/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyBKOIPXMCAOGMQI-AWEZNQCLSA-N
MW490.94 g/mol
LogP5.12
Rot. Bonds7

About N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide

N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide (PubChem CID 134474275) has the molecular formula C24H25ClF2N4O3 and a molecular weight of 490.94 g/mol. Its IUPAC name is N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide
PubChem CID134474275
Molecular FormulaC24H25ClF2N4O3
Molecular Weight490.94 g/mol
Exact Mass490.16
IUPAC NameN-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide
SMILESCCC[C@H](C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1c(F)cccc1Cl
InChIInChI=1S/C24H25ClF2N4O3/c1-3-7-14(2)34-20-13-19(31-24(33)30-11-5-4-10-21(30)29-31)18(27)12-15(20)23(32)28-22-16(25)8-6-9-17(22)26/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,28,32)/t14-/m0/s1
InChIKeyBKOIPXMCAOGMQI-AWEZNQCLSA-N
XLogP5.12
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.94
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide with MolForge

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Related Compounds

Orludodstat
CID 134470179
US10815215, Example 17
CID 134470039
US10815215, Example 221
CID 134470198
US10968216, Example 70
CID 134473898
US10968216, Example 224
CID 134474394
US10815215, Example 21
CID 134469745
US10815215, Example 182
CID 134469746
US10815215, Example 56
CID 134469776
US10815215, Example 54
CID 134469778
US10815215, Example 1
CID 134469780
US10815215, Example 8
CID 134469791
US10815215, Example 68
CID 134469805

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide?
The IUPAC name of N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide (CID 134474275) is N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide.
What is the SMILES notation for N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide?
The canonical SMILES for N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide is CCC[C@H](C)Oc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C(=O)Nc1c(F)cccc1Cl.
What is the InChIKey of N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide?
The InChIKey is BKOIPXMCAOGMQI-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H25ClF2N4O3/c1-3-7-14(2)34-20-13-19(31-24(33)30-11-5-4-10-21(30)29-31)18(27)12-15(20)23(32)28-22-16(25)8-6-9-17(22)26/h6,8-9,12-14H,3-5,7,10-11H2,1-2H3,(H,28,32)/t14-/m0/s1.
What are the key properties of N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide?
N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide has a molecular weight of 490.94 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-fluorophenyl)-5-fluoro-4-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-[(2S)-pentan-2-yl]oxybenzamide is sourced from PubChem (CID 134474275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).